data_1x66_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 1x66 _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 ' 20' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.49 53.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -64.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 121.45 71.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.79 34.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -68.91 -18.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.2 mt -89.88 -5.1 57.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -64.68 131.45 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 p -80.86 -177.76 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.47 -17.53 59.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -95.39 -43.63 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -52.71 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.95 -31.0 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -80.18 -43.49 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.57 -53.13 60.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.35 -33.89 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.15 -60.24 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.58 -24.82 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.49 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -29.76 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.62 -48.23 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -74.53 -19.84 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -54.38 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -88.88 8.55 28.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 m 51.68 51.15 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.4 mt -80.6 150.52 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -143.23 167.8 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.37 25.69 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 tt -101.08 136.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -96.52 87.57 4.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -62.31 -23.95 67.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -61.92 -36.03 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.69 -27.13 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -110.84 25.33 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.46 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -143.08 34.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -99.45 100.99 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 150.35 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.1 -41.05 4.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.89 82.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -72.9 -11.01 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -88.12 -30.31 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.41 -17.4 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -87.27 -25.82 23.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.68 145.27 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -115.16 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -41.34 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.66 -59.83 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.95 -32.24 44.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -79.87 -30.96 40.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.8 -19.72 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -83.94 3.05 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.25 -38.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -125.72 156.36 39.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.65 164.05 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -55.92 -52.06 65.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -49.41 -52.08 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 98.2 m -61.55 -30.35 70.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -35.6 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.42 -54.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.06 -54.88 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.56 -46.96 73.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -44.91 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -62.61 -58.35 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -27.27 60.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -44.98 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -74.11 -54.52 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.573 0.701 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 170.95 15.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.68 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 139.74 96.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.6 23.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.5 p -59.33 -19.67 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.39 6.47 37.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -85.31 127.54 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -78.99 -175.53 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.76 -17.28 60.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.85 -44.93 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.51 -52.27 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -50.33 -31.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -79.37 -44.28 21.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -62.77 -52.44 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -54.68 -36.56 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.6 -60.72 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.22 -26.11 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -71.18 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.15 -27.01 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.6 mt -73.12 -59.38 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -12.35 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.48 -50.67 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.15 12.23 20.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 51.64 53.21 13.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.61 148.92 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtt -143.19 166.21 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.34 28.43 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 tt -100.79 136.54 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.26 92.24 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -66.32 -30.08 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -32.85 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -58.48 -23.71 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.95 21.9 12.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.52 -29.99 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -138.08 29.69 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -92.94 101.22 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 150.76 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.28 -34.27 4.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -65.05 -44.87 87.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -77.33 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 tp -89.29 -34.68 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.7 p -79.83 -15.76 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.54 -25.17 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mmm -51.75 151.48 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -119.6 177.74 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.7 -40.48 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -58.98 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -54.26 -31.46 53.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -78.83 -36.47 42.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.39 -18.82 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -82.52 1.31 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.16 -39.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -123.45 156.33 35.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -62.64 165.23 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.79 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -49.3 -52.01 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.39 -35.52 80.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 98.2 m -57.83 -33.18 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.15 -39.67 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.98 -58.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.74 -56.12 15.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.65 -48.62 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -59.39 -46.7 87.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -59.5 -58.63 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -26.95 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -44.97 75.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -74.35 -54.72 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.667 0.746 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.4 12.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 139.82 96.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -29.49 23.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.6 p -59.54 -19.42 48.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.8 7.03 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.74 126.92 34.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.13 -176.0 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -17.29 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.77 -44.69 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -51.63 -52.33 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -50.25 -31.24 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.04 -52.39 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.93 -35.58 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.48 -60.51 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.27 -26.27 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -70.12 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.02 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.34 -50.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -5.3 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -99.11 -52.8 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -91.87 13.38 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 51.51 60.41 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.94 149.49 21.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.7 mtt -144.13 166.66 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.13 27.56 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 tt -99.99 136.55 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -95.01 93.56 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 p -67.22 -29.61 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -32.81 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.47 -23.63 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -117.2 22.13 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -61.21 -31.52 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.95 29.33 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 tpp -92.27 100.7 13.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 150.94 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.46 -35.1 3.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -46.49 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -75.78 -11.39 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 tp -89.56 -35.35 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.59 -15.48 57.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -25.59 21.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.88 152.66 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.3 178.4 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.51 -40.1 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -61.08 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.97 -30.51 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -79.7 -36.78 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mt -69.3 -18.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -82.76 1.59 38.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.44 -39.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -123.23 156.28 35.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -62.62 165.6 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.19 -51.18 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -49.45 -51.67 34.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.99 -35.63 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -58.09 -34.62 70.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -39.26 67.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.38 -58.12 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -51.99 -56.24 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.61 -48.57 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -59.49 -46.63 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -59.67 -58.65 7.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -26.88 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -44.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -74.52 -54.69 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 169.61 18.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.97 139.59 95.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.14 22.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.7 p -59.08 -19.9 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.181 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.99 7.2 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -86.24 127.32 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.75 -175.33 4.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -17.28 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -44.8 7.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -51.53 -52.39 47.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.17 -31.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -79.22 -44.06 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.73 -52.05 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -55.19 -37.25 66.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.33 -61.55 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.32 -28.39 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -69.4 -62.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.45 -29.56 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.36 -46.96 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -75.35 -21.76 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.53 -53.53 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -88.79 8.37 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m 51.63 45.95 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -73.22 139.08 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 mtt -130.72 161.39 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.52 36.97 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.8 tt -108.64 136.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -96.41 91.8 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -64.66 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.15 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.93 -23.43 53.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.81 21.52 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -61.9 -30.94 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -137.36 33.29 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.8 tpp -97.22 101.2 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 151.07 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.63 4.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -45.39 86.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.3 -11.48 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.66 -35.41 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.26 -15.73 57.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -26.14 21.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 148.9 5.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -117.67 178.0 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -51.52 -38.98 56.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -59.48 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.89 -27.92 46.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -81.74 -36.74 28.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.09 -18.19 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.99 2.04 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.47 -39.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -123.1 156.17 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -62.77 164.96 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.73 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.33 -51.64 33.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.75 -36.95 85.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.9 m -57.03 -39.79 75.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.63 -39.46 88.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.67 -57.85 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -53.27 -56.41 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.09 -48.35 64.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 t -60.28 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -59.57 -57.98 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -26.78 62.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -45.06 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -74.1 -54.77 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.612 0.72 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 171.98 13.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.24 -76.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 141.09 96.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -30.47 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.8 p -58.88 -20.67 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.24 5.28 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -85.43 126.3 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -77.93 -174.5 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -17.14 62.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.17 -44.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -51.36 -52.61 44.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.6 t -50.02 -31.15 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -80.51 -40.79 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.84 -52.33 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -55.42 -37.39 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.69 -60.5 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.49 32.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.58 -61.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.28 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.97 -48.3 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.45 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.35 -53.27 5.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -88.86 8.49 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.57 44.61 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 mt -71.54 138.2 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 mtt -130.17 160.62 33.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.66 37.44 10.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -109.19 136.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -95.66 90.11 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -64.93 -26.51 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -25.85 67.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.48 -23.84 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.7 22.08 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -64.97 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -134.14 32.84 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -99.96 100.45 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 150.88 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.39 3.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.39 85.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -75.8 -11.55 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.54 -36.3 15.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.7 p -78.11 -16.08 58.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -89.43 -26.95 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -51.85 150.82 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.41 177.27 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -51.48 -35.64 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -60.01 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.42 -27.96 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.62 -36.52 37.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.15 -18.29 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -83.32 2.47 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.62 -39.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.6 t -123.61 156.39 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 165.13 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -57.9 -51.47 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.34 -52.1 30.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -65.36 -36.22 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -57.63 -36.35 71.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.05 -39.22 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.07 -58.92 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.46 -55.89 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.68 -47.61 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -59.93 -44.35 94.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -64.68 -60.14 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -32.93 63.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -47.54 64.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.72 -53.66 25.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.17 4.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.93 -76.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 137.66 86.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -58.86 -20.72 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -84.54 3.62 35.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -82.9 129.77 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 p -80.68 -175.67 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -16.88 62.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.98 -41.4 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.61 -51.44 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.34 -31.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -76.96 -51.97 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -57.53 -48.78 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -55.12 -34.11 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.41 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.17 -27.68 35.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -69.9 -62.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.28 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mt -71.66 -49.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -17.57 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.05 -54.74 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.96 8.6 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m 51.52 66.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.71 151.15 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -144.12 167.4 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.46 29.89 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -103.5 136.79 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -96.55 89.58 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -64.19 -24.68 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -25.36 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.8 -24.11 64.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.54 18.38 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.33 -25.68 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -139.42 31.43 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 tpp -98.51 99.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 150.7 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -46.04 -33.6 5.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -66.34 -43.62 85.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -78.36 -11.32 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -89.11 -33.5 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.4 p -81.34 -14.33 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -91.26 -27.19 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmm -51.98 148.76 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.39 178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.77 -38.1 54.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -62.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.03 -29.57 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.36 -35.2 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.92 -18.61 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -84.05 3.18 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.57 -39.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.28 156.73 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -62.22 159.47 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.08 -51.53 57.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.52 -54.73 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.9 m -63.41 -28.03 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.47 -33.82 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.9 -58.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.44 -58.53 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.47 -44.91 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -60.95 -46.58 90.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -58.11 -57.02 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -25.17 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -40.21 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -79.92 -54.37 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.628 0.728 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 151.97 69.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.21 -68.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 109.35 1.36 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.88 33.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -20.96 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.77 -6.42 58.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -58.7 131.92 52.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -78.71 179.88 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -18.98 60.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -93.87 -44.06 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -51.98 -50.83 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.21 -35.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -73.71 -52.89 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.44 -49.41 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -58.5 -37.64 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.81 -59.11 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.44 -25.92 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -73.39 -58.92 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.02 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.5 mt -73.37 -58.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -11.57 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.81 -52.15 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 12.14 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m 51.65 52.17 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 mt -85.76 146.72 26.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -141.32 167.02 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.4 28.35 15.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 tt -101.94 136.33 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.76 87.25 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 p -61.94 -22.61 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -26.06 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.63 -24.27 65.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -113.22 19.6 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -136.13 25.72 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -88.82 100.97 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.52 150.23 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 -37.48 6.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -63.28 -43.5 97.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.5 -12.93 60.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 tp -88.66 -31.05 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.4 m -84.38 -13.08 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.7 -28.04 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.9 mmm -51.93 152.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.93 176.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -51.77 -37.08 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.5 -32.68 65.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.33 -34.09 67.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.3 -19.44 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -84.14 3.02 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.41 -39.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -129.49 156.81 43.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -62.18 159.42 14.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.97 -51.41 57.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -49.56 -54.97 15.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.78 -32.94 74.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.4 m -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 -34.58 47.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.13 -57.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.04 -57.65 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.37 -48.22 65.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -59.36 -46.31 88.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -59.8 -55.18 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -25.81 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -44.46 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -73.88 -54.75 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.627 0.727 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 2.285 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 108.98 1.17 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -15.4 37.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.71 -22.89 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.07 -6.9 58.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -57.36 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -80.3 178.93 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -17.39 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.36 -38.89 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -57.91 -51.92 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.37 -31.62 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -75.54 -56.52 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.03 -44.51 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -58.25 -40.39 81.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.62 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.09 -29.53 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -71.6 -61.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -31.35 20.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 mt -68.05 -45.8 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -16.44 57.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -43.71 11.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -102.95 10.23 38.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m 51.39 49.83 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.93 136.5 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.9 mtt -129.89 161.84 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.52 37.2 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 tt -111.17 136.03 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.15 97.89 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -70.41 -24.88 63.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -26.02 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.5 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -113.41 23.61 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -69.56 -25.12 63.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -138.21 33.2 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tpp -99.79 99.67 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.57 150.44 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.14 -36.84 4.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.731 0.301 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.5 tp -88.02 -28.63 21.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.1 m -87.62 -14.67 39.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -90.04 -29.03 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 mmm -52.16 158.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.18 178.43 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -51.86 -38.4 55.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -60.28 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.63 -31.33 57.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.67 -34.32 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.9 -17.42 63.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -83.06 2.01 37.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.32 -39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -122.15 155.97 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 t -63.07 165.62 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.9 -52.8 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -49.45 -51.13 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.0 -36.64 84.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -57.81 -41.69 82.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.37 87.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -68.09 -54.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.04 -54.95 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.92 -45.47 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 t -62.89 -46.23 88.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -59.99 -56.88 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -25.66 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -44.21 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -75.07 -54.17 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.592 0.71 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -76.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.47 141.79 97.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -30.48 22.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.6 p -58.95 -20.0 48.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -88.61 8.85 26.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -87.87 126.67 35.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -78.81 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -17.11 60.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -95.77 -43.22 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -53.82 -52.16 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.2 -31.01 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -79.7 -45.56 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -54.17 -35.74 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -62.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.61 -26.87 35.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.77 -63.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.07 -30.47 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.95 -48.93 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -18.6 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.84 -54.64 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -89.56 8.3 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m 51.67 58.4 5.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -88.1 151.96 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -144.22 166.98 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.47 29.92 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.09 136.62 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.03 91.87 6.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.5 p -65.29 -27.2 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -25.1 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.3 -22.84 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -115.73 21.38 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -143.3 35.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 tpp -101.83 100.08 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 150.95 25.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.34 -34.06 4.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -44.75 89.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -78.23 -11.26 59.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 tp -89.61 -35.33 15.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.3 p -78.1 -16.7 57.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -25.27 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 151.19 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 177.64 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.44 -36.52 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -59.83 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.5 -27.5 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -81.57 -36.21 29.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.37 -18.77 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.58 1.42 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.19 -39.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -122.99 156.26 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -62.78 166.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.15 -51.44 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -49.5 -51.21 37.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.41 -35.3 79.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.7 m -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.02 -38.3 57.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.55 -57.91 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -51.86 -54.79 25.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.15 -45.7 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -43.91 98.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.96 -60.11 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -32.83 64.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -45.2 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.08 -55.02 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.617 0.722 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.04 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -76.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.55 141.82 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.05 28.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.4 p -61.32 -18.53 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.82 17.22 14.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -93.22 122.14 35.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -71.86 -178.89 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -17.66 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -95.71 -43.61 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -51.45 -53.22 39.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.19 -30.63 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -79.99 -45.65 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -61.74 -49.91 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -55.62 -36.59 67.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.17 -62.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.98 -26.49 37.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -69.82 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.14 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.61 -47.41 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -18.07 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.58 -55.72 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -88.52 7.99 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.0 m 51.66 65.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.5 mt -95.57 151.52 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.2 mtt -143.54 166.03 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.37 31.52 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.42 136.02 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.54 88.83 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -63.11 -27.3 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -35.87 71.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.55 -27.04 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -111.59 25.61 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -21.97 66.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.22 29.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -94.21 97.94 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.46 150.91 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.15 -35.88 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.436 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -47.05 86.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.97 -12.26 59.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.96 -35.88 16.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -77.7 -16.81 58.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -22.97 22.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -51.93 154.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.19 178.4 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -51.55 -44.57 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.77 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.56 -33.14 59.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -78.08 -36.21 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.23 -18.4 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.32 1.13 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.64 -39.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -121.94 156.19 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -62.88 166.71 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 tp -58.5 -51.52 69.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -49.34 -50.88 37.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -66.7 -35.83 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.9 m -57.62 -31.54 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.44 -39.1 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.31 -57.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -51.65 -54.24 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.57 -45.08 77.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -62.14 -43.66 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -64.28 -59.86 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -32.33 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -43.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.68 -54.9 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.576 0.703 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.9 58.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.63 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.71 109.5 1.42 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.6 24.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 p -82.32 -24.14 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.62 -1.05 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -65.6 129.14 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 p -77.83 177.83 7.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -18.0 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.46 -39.22 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -56.95 -52.83 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -50.7 -33.52 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.8 -47.44 59.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -55.01 -39.6 69.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.38 -62.46 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -53.22 -28.64 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -69.53 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.92 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.14 -48.12 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -17.28 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -51.85 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -92.94 8.53 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.0 m 51.57 71.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.8 mt -104.18 152.59 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtt -144.4 167.92 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 63.48 29.31 15.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 tt -101.77 140.65 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.8 89.1 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.1 p -63.95 -30.22 71.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -27.78 53.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.46 -24.66 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.51 23.53 13.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.91 -32.82 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -132.65 35.08 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.1 tpp -98.0 100.21 11.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.76 150.69 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.69 -34.6 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.02 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.23 -11.28 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.25 -33.66 16.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.23 -15.65 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -89.09 -29.34 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.0 150.98 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -120.38 178.28 4.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -51.83 -40.14 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -58.12 6.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.93 -30.16 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.55 -34.25 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.97 -18.01 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -82.94 1.86 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.4 -39.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 t -123.17 156.14 35.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -62.81 165.14 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -57.79 -51.75 68.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -49.46 -51.91 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.08 -36.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -57.29 -40.63 78.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.36 -38.19 87.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.3 -55.62 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.3 -55.61 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.11 -47.44 71.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -61.29 -45.7 93.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.68 -57.86 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -32.37 67.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.56 -30.48 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -89.19 -50.06 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 152.88 69.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.59 109.37 1.36 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -82.66 -24.97 33.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 -1.16 57.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -65.59 127.86 33.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.9 p -76.07 178.56 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -18.29 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -94.87 -43.26 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -51.69 -52.48 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.67 -30.91 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -75.71 -55.81 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.02 -44.37 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -57.93 -40.53 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.8 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.31 -29.3 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -71.51 -61.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.3 -30.7 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.0 -48.87 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -73.61 -19.01 60.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.74 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.31 7.55 31.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 m 51.65 67.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.33 152.8 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 mtt -144.28 166.83 23.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.24 30.64 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 tt -104.27 136.18 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.52 88.62 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -64.6 -23.86 67.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -25.68 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -69.81 -25.24 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.93 11.63 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.24 -26.83 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.61 39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ttp -108.85 100.26 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.68 150.57 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.83 -34.01 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -44.08 87.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -77.81 -11.87 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -88.76 -35.37 16.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -78.74 -15.59 58.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -90.99 -26.12 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.5 mmm -51.85 149.18 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.08 -179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -51.78 -39.12 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.93 -58.88 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.63 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -83.41 -33.94 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mt -69.9 -18.4 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -84.16 3.11 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.67 -39.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.4 156.89 41.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 t -62.08 158.92 15.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.6 tp -51.75 -50.04 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.81 -55.51 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.78 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.2 m -63.16 -27.08 69.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.15 -34.73 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.48 -58.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -51.5 -58.0 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -47.17 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 t -59.48 -46.25 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -58.3 -55.76 30.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -31.84 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -87.74 -50.26 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.653 0.74 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.77 67.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.57 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.87 111.72 3.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.55 36.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -18.58 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.02 -7.82 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -58.13 132.76 54.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -80.57 -179.43 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -17.53 59.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.56 -42.4 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.5 -52.19 60.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -50.92 -34.83 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -73.77 -52.91 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -53.5 -50.52 65.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -56.71 -36.37 69.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -62.61 -59.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.39 -26.2 40.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.74 -59.4 2.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.02 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.06 -59.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -12.08 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -93.7 -51.08 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.35 12.33 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m 51.52 52.34 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 mt -87.09 149.35 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtt -144.32 166.67 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 63.33 26.3 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 tt -98.54 136.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -92.81 94.1 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.5 p -70.84 -25.29 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -25.77 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.2 -24.35 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -111.61 21.63 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.43 -25.91 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -137.53 39.15 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 tpp -106.37 99.12 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.36 150.29 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.37 -37.01 3.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.0 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.36 -11.03 60.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.7 tp -87.65 -28.16 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.82 -15.72 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -89.61 -29.72 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -52.05 149.81 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.0 178.58 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -51.61 -37.35 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.77 -59.46 3.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -54.95 -28.0 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.86 -32.06 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.39 -18.65 63.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -83.14 1.96 37.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.82 -39.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -124.41 156.19 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.76 165.74 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.8 tp -57.8 -52.14 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -49.49 -52.17 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.87 -36.77 85.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.9 m -58.19 -40.72 82.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.41 -55.09 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.51 -55.21 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.32 -47.82 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -61.17 -45.7 93.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -61.68 -56.78 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -35.13 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -51.86 -30.91 25.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -54.27 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.73 68.56 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -67.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -50.68 108.79 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.703 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.0 37.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.63 -23.03 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.74 -6.89 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -57.83 134.01 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 p -81.87 179.51 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -17.6 58.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -95.42 -39.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -57.36 -51.25 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -51.22 -31.26 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.62 -55.63 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -52.02 -45.15 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -58.19 -38.84 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.46 -60.69 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -53.94 -27.39 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.05 -62.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.96 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.0 mt -69.61 -48.28 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -19.37 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -55.45 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.46 7.87 30.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.75 57.32 6.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -86.62 152.27 22.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 mtt -143.89 166.28 25.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.35 30.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 tt -105.37 136.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.45 94.96 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -68.46 -24.04 64.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -26.22 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -66.19 -25.53 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -112.78 23.7 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -68.21 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.15 34.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -101.23 100.38 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 150.44 27.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.01 6.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -63.04 -43.92 97.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -77.16 -11.76 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -87.81 -27.59 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.4 m -88.84 -13.3 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -26.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.1 mmm -52.96 160.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.62 177.79 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.91 -59.59 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.24 -34.87 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.04 -32.41 56.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.56 -19.21 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -83.06 1.88 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.83 -39.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -123.95 156.23 36.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -62.7 165.9 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.82 -51.49 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -49.61 -51.27 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.33 -34.85 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -59.26 -31.03 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.51 -37.45 56.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.94 -55.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.64 -55.11 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.34 -45.75 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -62.14 -45.53 93.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.6 -57.84 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.48 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -35.15 46.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -81.9 -55.3 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.655 0.74 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 153.59 68.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.74 -67.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.55 109.31 1.33 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 p -82.29 -24.29 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.9 mt -87.13 -1.36 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -65.19 126.58 28.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -74.54 177.46 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -18.88 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.93 -43.27 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -51.64 -51.88 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -51.21 -30.01 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -77.38 -52.72 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -53.37 -47.83 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -56.28 -39.88 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.32 -61.49 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.93 -27.37 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -72.61 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.41 -30.56 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mt -69.97 -48.09 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -19.04 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 -55.29 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -88.55 7.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t 51.92 57.15 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 mt -86.68 151.49 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.1 mtt -144.43 165.21 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 63.32 32.02 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 tt -106.87 135.87 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -94.01 86.47 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -62.26 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -35.26 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.37 -26.16 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.48 24.32 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -23.5 67.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.91 25.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.39 101.42 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.44 150.87 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.35 -35.64 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -46.39 85.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -75.63 -10.86 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.1 tp -90.4 -33.01 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.05 -13.9 54.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -32.31 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.29 145.62 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.73 -177.15 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.06 -44.78 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.09 -62.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -51.76 -37.65 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.91 -33.18 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.53 -18.76 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -83.15 1.99 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.52 -39.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -123.91 156.42 36.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -62.69 165.47 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -57.33 -51.18 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -49.46 -52.21 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.79 -34.97 79.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.7 m -59.19 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.91 -37.54 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.1 t -67.17 -56.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.42 -54.9 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.67 -45.95 73.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 t -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -64.46 -58.38 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -34.68 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -51.62 -30.17 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -88.89 -50.31 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.615 0.721 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.65 59.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.76 -67.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 123.46 61.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 p -61.85 -17.39 56.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.2 3.5 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -77.5 132.42 38.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -80.57 -179.46 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.58 57.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.47 -43.25 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -51.89 -51.5 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -51.1 -29.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -78.24 -54.88 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -53.49 -45.95 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -56.68 -39.47 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.71 -60.73 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.97 -29.58 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -70.43 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.25 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -70.45 -47.8 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -18.33 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -51.0 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -91.63 9.42 32.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m 51.66 47.72 24.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -78.4 151.14 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 mtt -144.34 166.97 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.42 30.8 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 tt -101.67 151.29 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.01 90.12 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -67.06 -26.99 67.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -25.26 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -66.35 -24.87 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -113.86 20.46 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.52 -30.7 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -135.68 43.78 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -109.41 103.1 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 150.75 26.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.95 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -45.92 83.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.65 -11.23 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.2 tp -89.39 -36.72 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.0 p -78.39 -17.14 56.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.26 -28.12 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -53.94 139.19 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -106.31 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -51.94 -31.63 29.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.32 -52.96 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.13 -25.97 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.25 -32.41 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mt -69.28 -18.17 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.0 1.91 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.21 -39.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.6 t -123.61 156.15 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.98 165.73 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.06 -52.86 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.2 -50.95 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -64.21 -36.96 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.6 m -57.09 -43.19 81.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.13 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.7 -54.64 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.1 mt -57.48 -54.93 41.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.87 -45.81 74.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.8 t -62.72 -45.91 90.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -62.33 -56.83 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -32.7 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -30.93 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -87.73 -51.96 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.591 0.71 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.54 140.34 94.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.7 19.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 p -58.99 -20.31 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.23 5.81 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -85.25 123.41 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 p -74.96 -177.13 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.65 -16.97 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 -42.69 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -53.95 -51.04 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.0 -30.81 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.41 -42.01 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.06 -54.44 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -53.18 -31.87 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.04 -62.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.53 -28.94 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.98 -59.6 2.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -26.16 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.66 -53.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -4.02 43.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -98.25 -55.56 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -92.48 14.69 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 51.53 71.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.1 mt -105.13 145.2 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 mtt -139.92 166.33 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.49 27.41 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 tt -99.28 136.64 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.1 94.93 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 p -66.84 -24.31 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -34.38 77.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.41 -23.92 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -115.87 22.69 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -65.04 -25.28 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -142.72 29.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ttp -94.75 99.96 11.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.64 149.91 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.94 -34.66 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.26 -47.14 74.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -74.36 -12.19 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -50.84 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.7 p -62.94 -19.52 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -86.76 -25.05 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 mmm -52.18 149.04 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.96 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -51.91 -47.25 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -58.68 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.05 -41.03 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.65 -37.99 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -69.32 -17.91 63.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -83.94 3.02 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.35 -39.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.5 t -124.85 156.36 37.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.66 165.78 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.22 -53.42 58.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -48.94 -50.3 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.21 -37.49 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 m -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.34 -38.7 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.84 -54.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.58 -53.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.66 -44.54 77.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -63.86 -45.65 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.06 -56.27 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.36 70.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -35.54 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -82.31 -55.47 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.634 0.731 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 153.15 69.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 109.12 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.706 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.06 -19.6 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -91.08 -6.52 53.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -58.06 134.57 56.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 p -81.0 178.49 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -18.12 57.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -95.59 -43.08 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -51.56 -52.53 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.88 -30.21 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -76.66 -54.85 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -53.18 -46.08 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.73 -61.34 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.76 -29.03 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -70.91 -61.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.11 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.8 -52.46 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -16.0 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.6 -52.71 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -89.98 10.03 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m 51.6 54.01 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.9 mt -86.23 151.0 23.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 mtt -143.94 167.89 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.32 28.41 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 tt -102.86 137.29 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.1 87.56 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.6 p -62.35 -27.43 69.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -25.81 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -67.49 -24.77 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -112.28 21.61 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -67.01 -27.5 67.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -135.84 42.78 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 tpp -110.23 101.86 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 150.21 28.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.55 -36.09 4.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -46.74 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.82 -11.15 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 tp -88.51 -29.7 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.61 -15.73 44.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -89.69 -28.63 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -51.88 150.27 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.6 179.55 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.12 -39.73 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.06 -59.28 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.71 -28.12 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -83.35 -33.9 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.25 -18.26 63.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -82.71 1.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.8 -39.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.6 t -123.43 156.25 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.9 165.58 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.73 -52.17 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -49.48 -51.99 32.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -63.91 -36.16 83.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -58.64 -40.21 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.34 -36.73 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.92 -53.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.4 -54.68 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.9 -45.12 74.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -63.47 -46.29 86.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -60.6 -56.29 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.35 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -32.3 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -85.08 -54.43 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 175.62 7.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -76.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 141.77 97.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.62 24.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -59.83 -19.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -91.09 12.65 19.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -90.68 123.99 34.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -75.72 -178.17 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.84 -17.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.3 -43.87 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -51.92 -51.8 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -50.92 -32.3 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -76.83 -40.78 46.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -67.12 -53.38 31.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -54.25 -31.79 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.15 -62.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.3 -27.43 35.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -70.2 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.18 -30.19 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.8 mt -69.55 -46.47 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -77.05 -18.4 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.94 -45.51 10.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -99.37 10.19 41.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m 51.46 44.48 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.1 mt -72.07 143.52 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 mtt -137.27 161.86 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.41 35.78 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 tt -106.54 136.38 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.85 99.25 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.8 p -72.44 -23.58 61.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -29.86 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.02 -24.0 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -115.66 23.25 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -65.39 -25.1 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -145.14 30.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 tpp -95.04 99.85 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.42 150.28 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.05 -35.27 3.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -48.97 70.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.99 -51.96 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 p -62.0 -22.32 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.58 1.49 48.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmm -74.18 161.42 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.85 176.31 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.73 -42.44 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -57.05 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.16 -34.13 59.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -75.59 -36.81 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.55 -17.8 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -83.6 2.74 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.43 -39.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 t -123.74 156.39 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -62.78 165.5 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.51 -49.36 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.14 -51.92 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -67.96 -35.52 78.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.8 m -56.18 -32.97 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.57 -41.78 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.52 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.72 -53.99 33.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.27 -44.6 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -62.86 -44.93 94.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.99 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -33.47 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -84.87 -55.59 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.48 69.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.34 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.67 108.77 1.1 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -17.2 37.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -21.84 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.26 -8.13 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -58.13 131.37 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -80.81 179.73 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -17.56 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 -39.86 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -57.25 -51.88 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -50.87 -30.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -77.7 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.13 -45.49 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -56.75 -39.47 74.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.34 -61.2 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.13 -29.51 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -70.27 -62.41 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.03 -31.23 17.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.35 -49.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.34 -53.48 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -89.54 9.47 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 51.57 45.52 27.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -75.0 151.62 38.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 mtt -144.23 166.33 25.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 63.39 31.33 15.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 tt -103.44 142.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.54 93.42 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -68.31 -25.84 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -26.16 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -66.98 -25.66 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -112.21 23.63 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.74 -25.59 64.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -138.9 39.21 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 tpp -106.53 100.16 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 150.39 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.88 5.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.3 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.86 -11.06 60.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 tp -87.99 -29.31 20.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.4 m -85.21 -16.51 40.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -88.71 -25.31 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 mmm -56.33 148.47 18.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.24 178.94 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -51.86 -38.75 57.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.62 -59.99 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.38 -27.43 36.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.0 -34.68 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.09 -18.07 63.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -82.81 1.67 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.11 -39.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -123.15 156.09 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -62.98 165.4 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.11 -52.76 64.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -49.37 -50.3 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.47 -36.94 85.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.1 m -56.48 -44.26 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.41 -38.14 88.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.28 -53.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.99 -55.1 39.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.22 -46.3 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.28 -46.62 85.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -59.86 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -30.4 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -33.2 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -83.19 -47.01 12.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m 59.93 69.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -176.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.58 73.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.66 123.75 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -132.23 51.49 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.67 177.28 1.4 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 104.43 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -62.19 158.27 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.63 160.24 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -77.89 145.37 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -174.34 165.14 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -60.71 -59.58 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -113.99 -71.71 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -172.26 80.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.77 168.52 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 t -104.2 150.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.4 mt -122.03 87.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.25 154.86 80.21 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.49 53.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -64.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 121.45 71.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.79 34.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -68.91 -18.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.2 mt -89.88 -5.1 57.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -64.68 131.45 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 p -80.86 -177.76 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.47 -17.53 59.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -95.39 -43.63 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -52.71 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.3 t -50.95 -31.0 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -80.18 -43.49 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.57 -53.13 60.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -56.35 -33.89 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.15 -60.24 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.58 -24.82 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.49 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -29.76 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 mt -70.62 -48.23 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -74.53 -19.84 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -54.38 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -88.88 8.55 28.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 m 51.68 51.15 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.4 mt -80.6 150.52 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -143.23 167.8 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.37 25.69 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 tt -101.08 136.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -96.52 87.57 4.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -62.31 -23.95 67.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -61.92 -36.03 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.69 -27.13 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -110.84 25.33 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.46 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -143.08 34.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -99.45 100.99 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 150.35 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.1 -41.05 4.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.89 82.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -72.9 -11.01 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -88.12 -30.31 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.41 -17.4 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -87.27 -25.82 23.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.68 145.27 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -115.16 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -41.34 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.66 -59.83 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.95 -32.24 44.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -79.87 -30.96 40.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.8 -19.72 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -83.94 3.05 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.25 -38.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -125.72 156.36 39.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.65 164.05 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -55.92 -52.06 65.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -49.41 -52.08 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 98.2 m -61.55 -30.35 70.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -35.6 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.42 -54.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.06 -54.88 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.56 -46.96 73.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -44.91 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -62.61 -58.35 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -27.27 60.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -44.98 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -74.11 -54.52 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 mp -51.8 -33.84 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -68.3 -38.26 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.52 38.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 120.29 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -130.84 53.59 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m 57.78 26.5 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -111.0 -179.52 20.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.43 27.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.392 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -90.86 141.3 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -176.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -70.68 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.809 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.18 157.68 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 132.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -67.32 133.39 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -113.31 -69.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.06 -174.55 20.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 167.74 23.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 176.8 6.35 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.274 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -87.58 -66.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.6 129.96 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.66 110.51 4.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.67 100.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.85 -30.47 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -176.48 33.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -115.91 -170.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 -171.96 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -96.19 152.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 mt -120.76 87.48 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.06 154.96 77.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 170.95 15.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.68 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 139.74 96.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.6 23.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.5 p -59.33 -19.67 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.39 6.47 37.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -85.31 127.54 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -78.99 -175.53 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.76 -17.28 60.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.85 -44.93 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.51 -52.27 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -50.33 -31.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -79.37 -44.28 21.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -62.77 -52.44 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -54.68 -36.56 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.6 -60.72 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -55.22 -26.11 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -71.18 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.15 -27.01 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.6 mt -73.12 -59.38 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -12.35 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.48 -50.67 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.15 12.23 20.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 51.64 53.21 13.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.61 148.92 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtt -143.19 166.21 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.34 28.43 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 tt -100.79 136.54 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.26 92.24 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -66.32 -30.08 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -32.85 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -58.48 -23.71 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.95 21.9 12.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.52 -29.99 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -138.08 29.69 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -92.94 101.22 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 150.76 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.28 -34.27 4.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -65.05 -44.87 87.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -77.33 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 tp -89.29 -34.68 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.7 p -79.83 -15.76 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.54 -25.17 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mmm -51.75 151.48 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -119.6 177.74 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.7 -40.48 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -58.98 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -54.26 -31.46 53.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -78.83 -36.47 42.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.39 -18.82 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -82.52 1.31 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.16 -39.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -123.45 156.33 35.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -62.64 165.23 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.79 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -49.3 -52.01 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -66.39 -35.52 80.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 98.2 m -57.83 -33.18 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.15 -39.67 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.98 -58.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.74 -56.12 15.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.65 -48.62 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -59.39 -46.7 87.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -59.5 -58.63 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -26.95 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -44.97 75.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -74.35 -54.72 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.55 -33.55 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -72.28 -36.13 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -96.07 33.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.76 -177.74 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.79 170.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.8 t -107.11 -35.13 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.59 173.68 4.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.2 11.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -175.15 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 p -162.71 99.39 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 140.82 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -35.79 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.57 75.55 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.6 142.38 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.54 -36.26 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.43 -74.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.18 22.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -56.01 -72.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ttt -93.31 144.58 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -81.7 129.42 34.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.4 t -175.75 169.24 3.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -99.66 34.8 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.59 87.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.77 -174.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -133.65 150.47 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.3 mt -120.64 87.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 m -135.71 154.97 78.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.667 0.746 . . . . 0.0 111.103 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.4 12.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 139.82 96.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -29.49 23.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.6 p -59.54 -19.42 48.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.8 7.03 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.74 126.92 34.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.13 -176.0 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -17.29 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.77 -44.69 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -51.63 -52.33 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -50.25 -31.24 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.04 -52.39 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.93 -35.58 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.48 -60.51 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.27 -26.27 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -70.12 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.02 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mt -70.34 -50.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -5.3 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -99.11 -52.8 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -91.87 13.38 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 51.51 60.41 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -93.94 149.49 21.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.7 mtt -144.13 166.66 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.13 27.56 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 tt -99.99 136.55 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -95.01 93.56 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 p -67.22 -29.61 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -32.81 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -58.47 -23.63 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -117.2 22.13 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -61.21 -31.52 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.95 29.33 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.5 tpp -92.27 100.7 13.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 150.94 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.46 -35.1 3.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -46.49 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -75.78 -11.39 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 tp -89.56 -35.35 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.59 -15.48 57.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -25.59 21.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.88 152.66 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.3 178.4 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.51 -40.1 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -61.08 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.97 -30.51 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -79.7 -36.78 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mt -69.3 -18.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -82.76 1.59 38.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.44 -39.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -123.23 156.28 35.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -62.62 165.6 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.19 -51.18 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -49.45 -51.67 34.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.99 -35.63 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -58.09 -34.62 70.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -39.26 67.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.38 -58.12 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -51.99 -56.24 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.61 -48.57 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -59.49 -46.63 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -59.67 -58.65 7.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -26.88 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -44.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -74.52 -54.69 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.53 -33.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -72.1 -35.68 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.39 36.25 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -128.37 26.59 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.13 136.56 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t 57.91 -179.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.01 175.38 28.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -35.17 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -35.85 77.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.76 46.82 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -109.26 -63.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.6 37.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.61 -72.82 0.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.3 98.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -33.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.47 70.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.74 23.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 131.02 20.39 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -96.09 153.87 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.03 137.32 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.7 110.39 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -95.49 -3.54 46.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.37 39.71 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -169.27 -75.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.69 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.83 153.58 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -63.93 152.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.6 mt -119.45 87.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -136.36 155.06 77.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 169.61 18.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.97 139.59 95.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.14 22.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.7 p -59.08 -19.9 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.181 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.99 7.2 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -86.24 127.32 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.75 -175.33 4.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -17.28 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -44.8 7.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -51.53 -52.39 47.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.17 -31.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -79.22 -44.06 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.73 -52.05 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -55.19 -37.25 66.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.33 -61.55 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.32 -28.39 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -69.4 -62.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.45 -29.56 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.36 -46.96 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -75.35 -21.76 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.53 -53.53 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -88.79 8.37 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m 51.63 45.95 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -73.22 139.08 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 mtt -130.72 161.39 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.52 36.97 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.8 tt -108.64 136.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -96.41 91.8 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -64.66 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.15 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.93 -23.43 53.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.81 21.52 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -61.9 -30.94 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -137.36 33.29 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.8 tpp -97.22 101.2 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 151.07 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.63 4.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -45.39 86.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.3 -11.48 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.66 -35.41 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.26 -15.73 57.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -26.14 21.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 148.9 5.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -117.67 178.0 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -51.52 -38.98 56.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -59.48 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.89 -27.92 46.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -81.74 -36.74 28.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.09 -18.19 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.99 2.04 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.47 -39.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -123.1 156.17 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -62.77 164.96 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 tp -57.73 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.33 -51.64 33.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -64.75 -36.95 85.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.9 m -57.03 -39.79 75.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.63 -39.46 88.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.67 -57.85 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -53.27 -56.41 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.09 -48.35 64.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 t -60.28 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -59.57 -57.98 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -26.78 62.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -45.06 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -74.1 -54.77 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -51.69 -33.15 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -72.76 -36.14 67.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -102.78 30.24 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -39.74 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -122.1 39.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 166.3 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.09 48.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t -82.25 153.88 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m 55.22 42.52 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.69 158.98 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 -32.4 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.35 -162.92 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.93 94.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -123.11 143.58 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.47 169.29 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.77 23.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 143.93 52.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -112.28 -30.9 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.38 136.7 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.9 m -78.98 110.44 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 95.43 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -63.51 -26.07 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -130.52 -74.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -179.22 35.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.54 -170.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 t -101.42 151.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.2 mt -122.17 87.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.31 154.92 78.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 171.98 13.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.24 -76.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 141.09 96.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -30.47 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.8 p -58.88 -20.67 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.24 5.28 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -85.43 126.3 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -77.93 -174.5 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -17.14 62.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.17 -44.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -51.36 -52.61 44.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.6 t -50.02 -31.15 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -80.51 -40.79 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.84 -52.33 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -55.42 -37.39 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.69 -60.5 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.02 -27.49 32.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.58 -61.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.28 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.0 mt -70.97 -48.3 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.45 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.35 -53.27 5.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -88.86 8.49 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.57 44.61 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.8 mt -71.54 138.2 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 mtt -130.17 160.62 33.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.66 37.44 10.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -109.19 136.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -95.66 90.11 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -64.93 -26.51 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -25.85 67.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -65.48 -23.84 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.7 22.08 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -64.97 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -134.14 32.84 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tpp -99.96 100.45 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 150.88 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.39 3.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.39 85.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -75.8 -11.55 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.7 tp -89.54 -36.3 15.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.7 p -78.11 -16.08 58.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -89.43 -26.95 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -51.85 150.82 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.41 177.27 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -51.48 -35.64 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -60.01 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.42 -27.96 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.62 -36.52 37.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.15 -18.29 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -83.32 2.47 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.62 -39.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.6 t -123.61 156.39 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 165.13 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -57.9 -51.47 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.34 -52.1 30.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -65.36 -36.22 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -57.63 -36.35 71.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.05 -39.22 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.7 t -65.07 -58.92 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.46 -55.89 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.68 -47.61 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -59.93 -44.35 94.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -64.68 -60.14 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -32.93 63.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -47.54 64.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.72 -53.66 25.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.15 -25.81 34.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -79.09 -28.96 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -101.11 26.49 6.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.34 133.01 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -154.44 -69.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 118.86 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.93 180.0 31.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 172.59 12.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -64.13 -37.34 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.7 m 58.81 62.02 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t -130.72 159.54 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 p -118.52 177.88 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 150.36 35.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.65 -60.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -135.61 135.33 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.29 -177.85 48.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.75 23.52 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 120.82 7.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.33 -32.22 73.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 124.71 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.67 133.34 34.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 t -167.59 166.74 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -65.27 -60.52 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.43 159.42 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.35 97.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -115.5 157.51 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.5 t -109.8 142.65 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.2 86.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -124.87 153.61 70.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.17 4.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.93 -76.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 137.66 86.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -58.86 -20.72 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -84.54 3.62 35.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -82.9 129.77 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 p -80.68 -175.67 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -16.88 62.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.98 -41.4 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.61 -51.44 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.34 -31.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -76.96 -51.97 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -57.53 -48.78 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -55.12 -34.11 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.41 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.17 -27.68 35.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -69.9 -62.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.28 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mt -71.66 -49.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -17.57 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.05 -54.74 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.96 8.6 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m 51.52 66.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 mt -98.71 151.15 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -144.12 167.4 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.46 29.89 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -103.5 136.79 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -96.55 89.58 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.8 p -64.19 -24.68 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -25.36 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -68.8 -24.11 64.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.54 18.38 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.33 -25.68 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -139.42 31.43 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 tpp -98.51 99.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 150.7 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -46.04 -33.6 5.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -66.34 -43.62 85.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -78.36 -11.32 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -89.11 -33.5 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.4 p -81.34 -14.33 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -91.26 -27.19 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmm -51.98 148.76 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.39 178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.77 -38.1 54.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -62.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.03 -29.57 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.36 -35.2 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.92 -18.61 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -84.05 3.18 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.57 -39.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.28 156.73 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -62.22 159.47 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.08 -51.53 57.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.52 -54.73 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 95.9 m -63.41 -28.03 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.47 -33.82 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.9 -58.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.44 -58.53 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.7 mt -52.47 -44.91 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -60.95 -46.58 90.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -58.11 -57.02 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -25.17 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -40.21 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -79.92 -54.37 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.39 -27.82 26.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -72.24 -34.32 68.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -102.77 32.43 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -124.97 178.61 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t 61.41 59.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -146.85 34.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.59 171.93 38.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 159.05 54.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 -64.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 m -69.78 175.4 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -135.27 -65.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.28 135.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -167.39 27.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -112.38 61.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -121.66 145.7 47.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.67 71.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.12 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.378 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 62.14 171.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.7 ptp -99.92 145.75 27.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -73.41 129.71 38.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -164.92 172.42 12.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.33 -67.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -94.71 -73.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -173.45 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 164.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -86.8 150.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -127.73 86.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.15 154.72 81.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 151.97 69.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.21 -68.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 109.35 1.36 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.88 33.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -20.96 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.77 -6.42 58.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -58.7 131.92 52.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -78.71 179.88 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -18.98 60.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -93.87 -44.06 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -51.98 -50.83 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.21 -35.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -73.71 -52.89 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.44 -49.41 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -58.5 -37.64 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.81 -59.11 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.44 -25.92 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -73.39 -58.92 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.02 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.5 mt -73.37 -58.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -11.57 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.81 -52.15 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 12.14 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m 51.65 52.17 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.6 mt -85.76 146.72 26.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -141.32 167.02 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.4 28.35 15.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 tt -101.94 136.33 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.76 87.25 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 p -61.94 -22.61 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -26.06 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.63 -24.27 65.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -113.22 19.6 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -136.13 25.72 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -88.82 100.97 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.52 150.23 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 -37.48 6.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -63.28 -43.5 97.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.5 -12.93 60.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 tp -88.66 -31.05 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.4 m -84.38 -13.08 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.7 -28.04 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.9 mmm -51.93 152.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.93 176.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -51.77 -37.08 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.5 -32.68 65.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -72.33 -34.09 67.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.3 -19.44 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -84.14 3.02 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.41 -39.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -129.49 156.81 43.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -62.18 159.42 14.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.97 -51.41 57.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -49.56 -54.97 15.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -63.78 -32.94 74.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.4 m -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 -34.58 47.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.13 -57.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.04 -57.65 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -52.37 -48.22 65.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -59.36 -46.31 88.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -59.8 -55.18 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -25.81 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -44.46 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -73.88 -54.75 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.77 -34.58 40.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -69.47 -36.0 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -104.03 29.35 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.67 -67.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -53.43 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -58.39 121.63 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.94 172.62 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.04 54.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.96 117.28 16.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 p -77.44 75.16 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.1 118.65 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.835 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -99.55 44.84 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.06 22.97 28.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 62.9 174.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -98.97 27.71 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.86 71.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.73 23.59 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.14 66.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.395 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -80.19 63.14 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.96 128.98 33.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -114.25 111.59 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.63 -48.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.52 27.28 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -174.82 123.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.9 31.33 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -66.19 153.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -106.1 144.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mt -113.07 86.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -123.56 153.14 66.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.627 0.727 . . . . 0.0 111.179 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 2.285 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 108.98 1.17 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -15.4 37.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.71 -22.89 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.07 -6.9 58.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -57.36 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -80.3 178.93 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -17.39 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.36 -38.89 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -57.91 -51.92 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.6 t -51.37 -31.62 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -75.54 -56.52 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.03 -44.51 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -58.25 -40.39 81.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.62 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.09 -29.53 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -71.6 -61.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -31.35 20.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.8 mt -68.05 -45.8 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -16.44 57.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -43.71 11.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -102.95 10.23 38.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m 51.39 49.83 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.9 mt -76.93 136.5 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.9 mtt -129.89 161.84 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.52 37.2 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 tt -111.17 136.03 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.15 97.89 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -70.41 -24.88 63.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -26.02 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -65.5 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -113.41 23.61 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -69.56 -25.12 63.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -138.21 33.2 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 tpp -99.79 99.67 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.57 150.44 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.14 -36.84 4.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.731 0.301 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.5 tp -88.02 -28.63 21.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.1 m -87.62 -14.67 39.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -90.04 -29.03 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 mmm -52.16 158.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.18 178.43 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -51.86 -38.4 55.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -60.28 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.63 -31.33 57.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.67 -34.32 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 mt -68.9 -17.42 63.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -83.06 2.01 37.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.32 -39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -122.15 155.97 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 t -63.07 165.62 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.7 tp -57.9 -52.8 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -49.45 -51.13 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -64.0 -36.64 84.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.6 m -57.81 -41.69 82.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.37 87.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -68.09 -54.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.04 -54.95 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -54.92 -45.47 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 t -62.89 -46.23 88.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -59.99 -56.88 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -25.66 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -44.21 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -75.07 -54.17 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -51.9 -36.51 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -70.54 -35.34 73.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.16 31.26 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -144.76 90.57 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -146.51 -48.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m -67.84 -40.45 83.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.2 169.02 41.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 154.16 68.02 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -38.67 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.08 100.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -96.48 164.78 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -93.3 93.34 8.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.39 155.2 21.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -144.67 135.33 24.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.41 100.33 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.44 71.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.545 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.74 23.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.386 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.91 -36.86 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.46 137.16 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -117.11 128.23 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 t 179.85 144.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -52.46 -36.16 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.82 -172.27 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.12 67.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -163.27 -178.61 6.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -101.63 150.3 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 mt -106.12 63.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.57 154.89 42.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.144 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -76.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.47 141.79 97.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -30.48 22.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.6 p -58.95 -20.0 48.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -88.61 8.85 26.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -87.87 126.67 35.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -78.81 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -17.11 60.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -95.77 -43.22 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -53.82 -52.16 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.2 -31.01 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -79.7 -45.56 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -54.17 -35.74 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -62.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.61 -26.87 35.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.77 -63.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.07 -30.47 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.2 mt -69.95 -48.93 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -18.6 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.84 -54.64 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -89.56 8.3 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m 51.67 58.4 5.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -88.1 151.96 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -144.22 166.98 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.47 29.92 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 tt -104.09 136.62 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.03 91.87 6.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.5 p -65.29 -27.2 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -25.1 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.3 -22.84 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -115.73 21.38 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -143.3 35.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 tpp -101.83 100.08 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 150.95 25.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.34 -34.06 4.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -44.75 89.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -78.23 -11.26 59.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 tp -89.61 -35.33 15.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.3 p -78.1 -16.7 57.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -25.27 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 151.19 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 177.64 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.44 -36.52 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -59.83 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.5 -27.5 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -81.57 -36.21 29.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.37 -18.77 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.58 1.42 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.19 -39.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -122.99 156.26 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -62.78 166.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.4 tp -58.15 -51.44 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -49.5 -51.21 37.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -66.41 -35.3 79.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.7 m -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.02 -38.3 57.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.55 -57.91 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -51.86 -54.79 25.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.15 -45.7 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -43.91 98.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.96 -60.11 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -32.83 64.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -45.2 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.08 -55.02 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.61 -29.2 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -78.69 -33.21 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -100.04 35.28 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.37 112.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 p -120.05 -34.08 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -52.04 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.28 168.86 3.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.32 -178.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.2 t -165.97 96.5 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.59 118.95 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -92.37 -30.47 15.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.49 146.03 15.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -94.17 177.21 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.39 -176.57 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 75.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 101.73 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.76 131.45 43.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.6 p -118.24 112.04 19.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -139.02 44.21 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 57.44 26.39 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -169.37 148.93 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -26.28 67.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.32 156.19 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -70.79 149.74 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -105.61 63.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -109.33 154.93 41.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.722 . . . . 0.0 111.151 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.04 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -76.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.55 141.82 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.05 28.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 78.4 p -61.32 -18.53 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.82 17.22 14.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -93.22 122.14 35.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -71.86 -178.89 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -17.66 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -95.71 -43.61 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -51.45 -53.22 39.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.0 t -50.19 -30.63 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -79.99 -45.65 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -61.74 -49.91 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -55.62 -36.59 67.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.17 -62.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.98 -26.49 37.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -69.82 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.14 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mt -71.61 -47.41 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -18.07 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.58 -55.72 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -88.52 7.99 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.0 m 51.66 65.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.5 mt -95.57 151.52 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.2 mtt -143.54 166.03 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.37 31.52 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 tt -106.42 136.02 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.54 88.83 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -63.11 -27.3 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -35.87 71.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.55 -27.04 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -111.59 25.61 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -21.97 66.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.22 29.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 tpp -94.21 97.94 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.46 150.91 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.15 -35.88 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.436 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -47.05 86.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.97 -12.26 59.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.8 tp -88.96 -35.88 16.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -77.7 -16.81 58.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -22.97 22.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -51.93 154.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.19 178.4 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -51.55 -44.57 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.77 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.56 -33.14 59.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -78.08 -36.21 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 mt -69.23 -18.4 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.32 1.13 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.64 -39.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -121.94 156.19 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -62.88 166.71 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 tp -58.5 -51.52 69.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -49.34 -50.88 37.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -66.7 -35.83 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.9 m -57.62 -31.54 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.44 -39.1 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.31 -57.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -51.65 -54.24 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.57 -45.08 77.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -62.14 -43.66 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -64.28 -59.86 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -32.33 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -43.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.68 -54.9 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.63 -28.82 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -78.08 -33.95 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -95.99 32.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.89 -176.68 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t 60.3 45.42 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -60.32 -32.44 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.52 171.59 45.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -38.92 7.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m 57.03 55.49 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.36 159.4 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.12 -176.98 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.66 153.59 45.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.48 -129.96 9.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.89 -43.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -110.64 -48.11 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.56 169.38 15.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.68 23.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 114.11 3.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -94.58 -55.16 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.0 ptp -67.07 142.67 57.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -101.67 119.07 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 118.39 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.02 -57.76 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -119.34 148.52 43.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 52.73 81.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -111.7 114.04 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -71.79 144.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -115.47 87.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.49 152.65 53.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.9 58.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.63 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.71 109.5 1.42 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.6 24.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.5 p -82.32 -24.14 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.62 -1.05 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -65.6 129.14 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 p -77.83 177.83 7.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -18.0 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.46 -39.22 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -56.95 -52.83 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.8 t -50.7 -33.52 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.8 -47.44 59.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -55.01 -39.6 69.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.38 -62.46 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -53.22 -28.64 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -69.53 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.92 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.14 -48.12 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -17.28 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -51.85 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -92.94 8.53 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.0 m 51.57 71.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.8 mt -104.18 152.59 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtt -144.4 167.92 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 63.48 29.31 15.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 tt -101.77 140.65 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.8 89.1 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.1 p -63.95 -30.22 71.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -27.78 53.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -67.46 -24.66 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.51 23.53 13.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.91 -32.82 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -132.65 35.08 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.1 tpp -98.0 100.21 11.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.76 150.69 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.69 -34.6 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.02 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.23 -11.28 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.25 -33.66 16.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.23 -15.65 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -89.09 -29.34 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.0 150.98 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -120.38 178.28 4.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -51.83 -40.14 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -58.12 6.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.93 -30.16 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -79.55 -34.25 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.97 -18.01 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -82.94 1.86 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.4 -39.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 t -123.17 156.14 35.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -62.81 165.14 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -57.79 -51.75 68.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -49.46 -51.91 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -65.08 -36.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.0 m -57.29 -40.63 78.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.36 -38.19 87.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.3 -55.62 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.3 -55.61 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.11 -47.44 71.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -61.29 -45.7 93.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.68 -57.86 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -32.37 67.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.56 -30.48 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -89.19 -50.06 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -53.77 -39.82 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -105.68 26.78 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.48 -42.98 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.64 -57.54 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.57 157.07 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.88 70.93 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 123.49 10.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -81.08 149.03 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -84.68 174.2 10.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.32 90.88 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -108.54 175.73 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.1 111.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t 61.55 38.47 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -143.36 172.98 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.78 178.88 27.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.75 23.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 158.77 55.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -67.53 -49.87 61.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.24 124.41 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -93.46 141.83 28.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.99 169.2 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.92 -45.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -167.77 -48.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -135.0 53.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -116.48 142.53 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.0 t -81.78 144.17 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.92 87.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m -119.97 153.35 55.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 152.88 69.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.59 109.37 1.36 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -82.66 -24.97 33.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 -1.16 57.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -65.59 127.86 33.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.9 p -76.07 178.56 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -18.29 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -94.87 -43.26 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -51.69 -52.48 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -50.67 -30.91 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -75.71 -55.81 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.02 -44.37 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -57.93 -40.53 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.8 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.31 -29.3 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -71.51 -61.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.3 -30.7 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.0 -48.87 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -73.61 -19.01 60.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.74 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.31 7.55 31.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 m 51.65 67.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -99.33 152.8 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 mtt -144.28 166.83 23.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.24 30.64 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 tt -104.27 136.18 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.52 88.62 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.9 p -64.6 -23.86 67.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -25.68 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -69.81 -25.24 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.93 11.63 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.24 -26.83 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.61 39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ttp -108.85 100.26 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.68 150.57 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.83 -34.01 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -44.08 87.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -77.81 -11.87 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.9 tp -88.76 -35.37 16.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.8 p -78.74 -15.59 58.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -90.99 -26.12 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.5 mmm -51.85 149.18 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.08 -179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -51.78 -39.12 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.93 -58.88 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.63 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -83.41 -33.94 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mt -69.9 -18.4 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -84.16 3.11 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.67 -39.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.4 156.89 41.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 t -62.08 158.92 15.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.6 tp -51.75 -50.04 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.81 -55.51 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -64.78 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 96.2 m -63.16 -27.08 69.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.15 -34.73 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.48 -58.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -51.5 -58.0 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -47.17 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 t -59.48 -46.25 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -58.3 -55.76 30.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -31.84 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -87.74 -50.26 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.71 -48.53 72.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -31.35 28.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -102.42 37.82 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.72 -178.55 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.81 28.76 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 115.04 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 168.59 11.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.07 46.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.5 t -54.01 109.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.9 m -125.06 170.8 10.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -119.42 165.07 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -143.57 142.63 31.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 95.67 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.12 168.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.18 168.4 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.69 174.58 17.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.72 23.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.39 14.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.383 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.43 -33.67 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.78 140.02 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.04 110.31 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -175.63 174.1 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -51.97 148.82 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.93 75.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.34 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.39 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.7 151.56 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -123.44 87.37 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -133.86 154.75 80.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.77 67.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.57 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.87 111.72 3.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.55 36.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -18.58 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.02 -7.82 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -58.13 132.76 54.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -80.57 -179.43 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -17.53 59.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.56 -42.4 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -53.5 -52.19 60.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -50.92 -34.83 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -73.77 -52.91 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -53.5 -50.52 65.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -56.71 -36.37 69.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -62.61 -59.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.39 -26.2 40.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.74 -59.4 2.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.02 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.06 -59.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -12.08 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -93.7 -51.08 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.35 12.33 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m 51.52 52.34 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 mt -87.09 149.35 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtt -144.32 166.67 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 63.33 26.3 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 tt -98.54 136.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -92.81 94.1 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.5 p -70.84 -25.29 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -25.77 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.2 -24.35 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -111.61 21.63 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.43 -25.91 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -137.53 39.15 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 tpp -106.37 99.12 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.36 150.29 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.37 -37.01 3.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.0 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.36 -11.03 60.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 54.7 tp -87.65 -28.16 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.82 -15.72 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -89.61 -29.72 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -52.05 149.81 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.0 178.58 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -51.61 -37.35 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.77 -59.46 3.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -54.95 -28.0 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.86 -32.06 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.39 -18.65 63.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -83.14 1.96 37.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.82 -39.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -124.41 156.19 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.76 165.74 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.8 tp -57.8 -52.14 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -49.49 -52.17 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.87 -36.77 85.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 94.9 m -58.19 -40.72 82.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.41 -55.09 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.51 -55.21 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.32 -47.82 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -61.17 -45.7 93.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -61.68 -56.78 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -35.13 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -51.86 -30.91 25.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -54.27 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.3 -27.44 35.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -71.36 -36.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -97.43 26.77 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -111.5 59.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -174.97 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.6 m -118.99 150.09 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.55 -168.47 30.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.4 p -150.88 58.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.23 112.29 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.88 107.18 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -170.51 -57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 -160.75 33.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -101.2 -59.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.31 -40.01 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.66 166.97 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.72 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.4 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.19 34.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -88.75 174.27 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.57 127.55 32.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -86.65 110.4 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 t -116.92 -25.04 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 63.22 26.16 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -162.23 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.71 151.68 46.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.5 p -57.23 149.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 mt -108.74 63.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.12 154.61 42.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.73 68.56 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -67.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -50.68 108.79 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.703 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -16.0 37.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.63 -23.03 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -85.74 -6.89 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -57.83 134.01 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 p -81.87 179.51 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -17.6 58.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -95.42 -39.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -57.36 -51.25 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -51.22 -31.26 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.62 -55.63 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -52.02 -45.15 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -58.19 -38.84 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.46 -60.69 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -53.94 -27.39 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.05 -62.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.96 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.0 mt -69.61 -48.28 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -19.37 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -55.45 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.46 7.87 30.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.75 57.32 6.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -86.62 152.27 22.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 mtt -143.89 166.28 25.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.35 30.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 tt -105.37 136.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.45 94.96 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -68.46 -24.04 64.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -26.22 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -66.19 -25.53 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -112.78 23.7 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -68.21 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.15 34.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -101.23 100.38 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 150.44 27.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.01 6.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -63.04 -43.92 97.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -77.16 -11.76 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -87.81 -27.59 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.4 m -88.84 -13.3 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -26.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.1 mmm -52.96 160.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.62 177.79 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.91 -59.59 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.24 -34.87 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.04 -32.41 56.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mt -69.56 -19.21 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -83.06 1.88 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.83 -39.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -123.95 156.23 36.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -62.7 165.9 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.82 -51.49 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -49.61 -51.27 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -66.33 -34.85 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.4 m -59.26 -31.03 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.51 -37.45 56.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.94 -55.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.64 -55.11 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.34 -45.75 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -62.14 -45.53 93.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.6 -57.84 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.48 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -35.15 46.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -81.9 -55.3 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.08 -31.57 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -73.37 -35.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -96.06 36.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.72 -173.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t 59.39 83.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 t 55.98 85.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.1 -167.66 12.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 147.98 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.0 m -109.99 46.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -149.62 31.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.84 137.17 34.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.36 54.42 6.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -67.69 -34.03 76.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t 61.06 31.28 19.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.63 170.75 32.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.66 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -178.29 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.81 118.07 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.04 116.1 32.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -172.09 171.82 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.99 -173.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.06 177.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 60.1 26.83 16.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -73.54 166.83 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -113.68 144.25 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mt -115.85 87.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.81 152.89 52.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 153.59 68.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.74 -67.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.55 109.31 1.33 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 p -82.29 -24.29 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.9 mt -87.13 -1.36 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -65.19 126.58 28.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -74.54 177.46 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -18.88 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.93 -43.27 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -51.64 -51.88 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.2 t -51.21 -30.01 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -77.38 -52.72 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -53.37 -47.83 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -56.28 -39.88 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.32 -61.49 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.93 -27.37 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -72.61 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.41 -30.56 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mt -69.97 -48.09 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -19.04 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 -55.29 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -88.55 7.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t 51.92 57.15 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.0 mt -86.68 151.49 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.1 mtt -144.43 165.21 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 63.32 32.02 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 tt -106.87 135.87 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -94.01 86.47 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -62.26 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -35.26 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.37 -26.16 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -112.48 24.32 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -23.5 67.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.91 25.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.39 101.42 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.44 150.87 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.35 -35.64 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -46.39 85.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -75.63 -10.86 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.1 tp -90.4 -33.01 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.0 p -83.05 -13.9 54.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -32.31 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.29 145.62 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.73 -177.15 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -51.06 -44.78 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.09 -62.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -51.76 -37.65 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.91 -33.18 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.53 -18.76 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -83.15 1.99 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.52 -39.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -123.91 156.42 36.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -62.69 165.47 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.2 tp -57.33 -51.18 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -49.46 -52.21 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -65.79 -34.97 79.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.7 m -59.19 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.91 -37.54 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.1 t -67.17 -56.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.42 -54.9 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.67 -45.95 73.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 t -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -64.46 -58.38 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -34.68 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -51.62 -30.17 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -88.89 -50.31 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.61 -47.51 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -31.11 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -88.83 -23.37 22.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -93.68 118.21 31.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.6 p -126.17 -47.56 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t 52.32 30.89 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.31 -75.42 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.449 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 163.14 39.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -70.63 -38.26 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.05 179.69 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m 60.86 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 58.58 91.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.83 113.43 0.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -66.37 141.73 57.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 130.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.2 75.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.41 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.55 96.6 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 137.55 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -112.78 114.38 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -173.07 171.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.06 -63.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.51 158.06 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 58.01 89.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.84 23.73 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t 64.88 150.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mt -126.91 87.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.38 153.05 51.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 111.11 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.65 59.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.76 -67.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 123.46 61.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.4 p -61.85 -17.39 56.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.2 3.5 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -77.5 132.42 38.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -80.57 -179.46 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.58 57.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.47 -43.25 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -51.89 -51.5 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -51.1 -29.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -78.24 -54.88 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -53.49 -45.95 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -56.68 -39.47 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.71 -60.73 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -51.97 -29.58 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -70.43 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.25 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -70.45 -47.8 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -18.33 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -51.0 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -91.63 9.42 32.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m 51.66 47.72 24.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 mt -78.4 151.14 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 mtt -144.34 166.97 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.42 30.8 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 tt -101.67 151.29 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.01 90.12 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -67.06 -26.99 67.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -25.26 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -66.35 -24.87 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -113.86 20.46 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.52 -30.7 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -135.68 43.78 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.7 tpp -109.41 103.1 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 150.75 26.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.95 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -45.92 83.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.65 -11.23 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 27.2 tp -89.39 -36.72 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 18.0 p -78.39 -17.14 56.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.26 -28.12 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -53.94 139.19 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -106.31 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -51.94 -31.63 29.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.32 -52.96 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.13 -25.97 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.25 -32.41 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mt -69.28 -18.17 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.0 1.91 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.21 -39.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.6 t -123.61 156.15 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.98 165.73 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.7 tp -58.06 -52.86 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.2 -50.95 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -64.21 -36.96 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.6 m -57.09 -43.19 81.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.13 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.7 -54.64 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.1 mt -57.48 -54.93 41.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.87 -45.81 74.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.8 t -62.72 -45.91 90.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -62.33 -56.83 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -32.7 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -30.93 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -87.73 -51.96 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.35 -41.32 62.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -35.04 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -98.05 38.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.7 t -132.32 147.62 52.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 m 54.63 27.43 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 t -68.84 -31.92 71.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.37 72.07 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.62 16.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 141.03 19.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.6 t -170.35 -50.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.463 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 57.54 63.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.3 157.06 26.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.95 -148.73 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -99.48 -29.14 12.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 m -119.86 -49.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.35 176.63 29.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.75 23.51 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.06 2.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -152.66 32.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.8 ttt -80.59 117.29 21.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 112.43 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.2 m -159.01 149.19 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -30.47 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.59 175.47 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -81.63 63.56 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.65 -172.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.3 t -119.09 148.5 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.75 86.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.88 155.1 79.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.54 140.34 94.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.7 19.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.1 p -58.99 -20.31 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.23 5.81 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -85.25 123.41 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 p -74.96 -177.13 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.65 -16.97 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 -42.69 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -53.95 -51.04 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -51.0 -30.81 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.41 -42.01 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.06 -54.44 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -53.18 -31.87 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.04 -62.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.53 -28.94 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.98 -59.6 2.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -26.16 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.66 -53.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -4.02 43.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -98.25 -55.56 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -92.48 14.69 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 51.53 71.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.1 mt -105.13 145.2 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 mtt -139.92 166.33 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.49 27.41 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 tt -99.28 136.64 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.1 94.93 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 p -66.84 -24.31 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -34.38 77.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.41 -23.92 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -115.87 22.69 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -65.04 -25.28 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -142.72 29.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 ttp -94.75 99.96 11.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.64 149.91 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.94 -34.66 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.26 -47.14 74.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -74.36 -12.19 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.49 -50.84 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.7 p -62.94 -19.52 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -86.76 -25.05 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 mmm -52.18 149.04 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.96 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -51.91 -47.25 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -58.68 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.05 -41.03 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -65.65 -37.99 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.4 mt -69.32 -17.91 63.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -83.94 3.02 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.35 -39.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.5 t -124.85 156.36 37.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.66 165.78 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.22 -53.42 58.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -48.94 -50.3 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.21 -37.49 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 m -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.34 -38.7 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.84 -54.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.58 -53.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.66 -44.54 77.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -63.86 -45.65 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.06 -56.27 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.36 70.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -35.54 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -82.31 -55.47 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -52.22 -29.79 24.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mtp85 -75.01 -35.28 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -95.76 25.05 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.64 -176.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 t 63.17 36.74 11.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.6 m -95.81 75.75 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -95.65 -171.06 35.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 163.92 36.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.7 t -153.66 72.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -102.12 152.17 21.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -61.54 160.8 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.799 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 55.82 56.3 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.56 -43.32 85.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m 57.95 55.9 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -79.53 157.53 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.34 69.75 1.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 167.76 23.58 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 147.95 64.24 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -89.01 140.21 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ttt -90.56 111.31 22.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -87.63 140.29 29.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.8 t -175.57 175.57 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -77.52 60.08 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.17 99.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 51.94 88.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -178.17 147.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.4 p -137.8 149.64 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -108.92 63.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.63 154.51 43.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 111.155 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 153.15 69.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 109.12 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.706 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.06 -19.6 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -91.08 -6.52 53.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -58.06 134.57 56.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 p -81.0 178.49 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -18.12 57.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -95.59 -43.08 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -51.56 -52.53 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.88 -30.21 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -76.66 -54.85 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -53.18 -46.08 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.73 -61.34 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -52.76 -29.03 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -70.91 -61.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.11 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.8 -52.46 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -16.0 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.6 -52.71 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -89.98 10.03 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m 51.6 54.01 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.9 mt -86.23 151.0 23.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 mtt -143.94 167.89 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.32 28.41 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 tt -102.86 137.29 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.1 87.56 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.6 p -62.35 -27.43 69.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -25.81 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -67.49 -24.77 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -112.28 21.61 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -67.01 -27.5 67.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -135.84 42.78 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.3 tpp -110.23 101.86 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 150.21 28.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.55 -36.09 4.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -46.74 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.82 -11.15 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.8 tp -88.51 -29.7 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.61 -15.73 44.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -89.69 -28.63 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -51.88 150.27 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.6 179.55 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.12 -39.73 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.06 -59.28 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.71 -28.12 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -83.35 -33.9 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.25 -18.26 63.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -82.71 1.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.8 -39.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.6 t -123.43 156.25 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -62.9 165.58 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.0 tp -57.73 -52.17 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -49.48 -51.99 32.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -63.91 -36.16 83.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 84.8 m -58.64 -40.21 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.34 -36.73 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -68.92 -53.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.4 -54.68 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.9 -45.12 74.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -63.47 -46.29 86.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -60.6 -56.29 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.35 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -32.3 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -85.08 -54.43 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.75 -28.04 32.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -73.66 -33.1 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.87 36.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -137.44 153.1 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m 57.53 42.53 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p -83.84 -170.16 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.53 176.48 19.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.96 69.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 54.32 76.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 p -104.49 52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -102.73 61.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -132.34 131.33 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.48 156.84 33.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -168.39 92.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -91.88 129.8 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.19 168.13 5.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.248 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -81.88 168.99 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.01 117.82 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.21 114.24 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 t -144.14 -42.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -177.48 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -136.2 33.54 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.27 63.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -135.34 -175.31 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -117.17 148.0 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mt -120.73 86.68 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 m -135.53 154.97 78.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 175.62 7.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -76.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 141.77 97.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.62 24.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.7 p -59.83 -19.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -91.09 12.65 19.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -90.68 123.99 34.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -75.72 -178.17 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.84 -17.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.3 -43.87 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -51.92 -51.8 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.6 t -50.92 -32.3 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -76.83 -40.78 46.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -67.12 -53.38 31.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -54.25 -31.79 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -65.15 -62.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.3 -27.43 35.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -70.2 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.18 -30.19 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.8 mt -69.55 -46.47 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -77.05 -18.4 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.94 -45.51 10.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -99.37 10.19 41.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m 51.46 44.48 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.1 mt -72.07 143.52 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 mtt -137.27 161.86 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.41 35.78 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 tt -106.54 136.38 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.85 99.25 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.8 p -72.44 -23.58 61.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -29.86 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.02 -24.0 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -115.66 23.25 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -65.39 -25.1 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -145.14 30.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.0 tpp -95.04 99.85 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.42 150.28 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.05 -35.27 3.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -48.97 70.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.99 -51.96 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.9 p -62.0 -22.32 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.58 1.49 48.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmm -74.18 161.42 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.85 176.31 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.73 -42.44 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -57.05 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.16 -34.13 59.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -75.59 -36.81 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.55 -17.8 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -83.6 2.74 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -134.43 -39.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 t -123.74 156.39 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -62.78 165.5 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 tp -58.51 -49.36 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.14 -51.92 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -67.96 -35.52 78.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.8 m -56.18 -32.97 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.57 -41.78 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.52 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.72 -53.99 33.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.27 -44.6 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -62.86 -44.93 94.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.99 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -33.47 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -84.87 -55.59 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.49 -32.35 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -72.91 -36.86 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -99.73 29.2 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -127.03 30.31 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.35 -63.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.54 -172.82 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.03 176.76 24.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 130.65 19.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -123.39 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 p -78.59 151.47 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.79 -173.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.82 -176.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.74 169.27 31.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.12 -36.12 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.54 97.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.76 169.45 27.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.74 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.78 41.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.728 2.285 . . . . 0.0 112.393 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.39 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.9 mtp -65.77 156.88 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.5 p -91.92 111.28 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 t -161.26 158.01 26.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -97.32 32.12 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.29 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 167.6 13.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.02 151.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.63 63.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -110.26 154.69 42.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.48 69.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.34 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.67 108.77 1.1 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -17.2 37.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -21.84 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.26 -8.13 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -58.13 131.37 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -80.81 179.73 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -17.56 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 -39.86 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -57.25 -51.88 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.5 t -50.87 -30.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -77.7 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.13 -45.49 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -56.75 -39.47 74.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.34 -61.2 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.13 -29.51 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -70.27 -62.41 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.03 -31.23 17.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.6 mt -69.35 -49.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.34 -53.48 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -89.54 9.47 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 51.57 45.52 27.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 mt -75.0 151.62 38.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 mtt -144.23 166.33 25.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 63.39 31.33 15.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 tt -103.44 142.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.54 93.42 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -68.31 -25.84 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -26.16 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -66.98 -25.66 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -112.21 23.63 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.74 -25.59 64.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -138.9 39.21 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.7 tpp -106.53 100.16 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 150.39 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.88 5.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.3 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.86 -11.06 60.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 tp -87.99 -29.31 20.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.4 m -85.21 -16.51 40.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -88.71 -25.31 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 mmm -56.33 148.47 18.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.24 178.94 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -51.86 -38.75 57.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.62 -59.99 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.38 -27.43 36.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -84.0 -34.68 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.09 -18.07 63.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -82.81 1.67 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -133.11 -39.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -123.15 156.09 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -62.98 165.4 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.11 -52.76 64.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -49.37 -50.3 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -64.47 -36.94 85.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 62.1 m -56.48 -44.26 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.41 -38.14 88.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.6 t -66.28 -53.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.99 -55.1 39.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.22 -46.3 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.28 -46.62 85.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -59.86 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.46 -30.4 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -33.2 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -83.19 -47.01 12.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.41 -46.85 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -58.15 -29.97 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -105.36 42.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 -176.37 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.73 27.33 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t 59.96 76.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.16 178.48 25.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -178.13 2.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 p -135.98 77.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.97 129.05 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.491 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.6 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.49 53.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -64.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 121.45 71.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.79 34.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -68.91 -18.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.2 mt -89.88 -5.1 57.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -64.68 131.45 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 p -80.86 -177.76 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.47 -17.53 59.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -95.39 -43.63 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.1 m170 -52.71 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.969 HG13 HD22 ' A' ' 61' ' ' LEU . 78.3 t -50.95 -31.0 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -80.18 -43.49 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.57 -53.13 60.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.4 t90 -56.35 -33.89 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.15 -60.24 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.8 mt-10 -56.58 -24.82 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.49 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -29.76 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.5 mt -70.62 -48.23 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -74.53 -19.84 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -54.38 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.8 m-85 -88.88 8.55 28.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 m 51.68 51.15 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.609 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.4 mt -80.6 150.52 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -143.23 167.8 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.37 25.69 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -101.08 136.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -96.52 87.57 4.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -62.31 -23.95 67.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -61.92 -36.03 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.69 -27.13 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -110.84 25.33 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.46 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -143.08 34.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -99.45 100.99 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 150.35 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.1 -41.05 4.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.89 82.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -72.9 -11.01 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.969 HD22 HG13 ' A' ' 32' ' ' VAL . 63.5 tp -88.12 -30.31 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.41 -17.4 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -87.27 -25.82 23.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.68 145.27 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -115.16 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG3' HG21 ' A' ' 78' ' ' THR . 0.9 OUTLIER -51.82 -41.34 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.66 -59.83 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.95 -32.24 44.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.3 m-85 -79.87 -30.96 40.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 75' ' ' LEU . 9.5 mt -69.8 -19.72 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -83.94 3.05 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.25 -38.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.0 t -125.72 156.36 39.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.65 164.05 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.2 tp -55.92 -52.06 65.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -49.41 -52.08 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.664 ' H ' HG23 ' A' ' 74' ' ' THR . 89.3 m-20 -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.509 HG21 ' HG3' ' A' ' 66' ' ' LYS . 98.2 m -61.55 -30.35 70.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -35.6 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 43' ' ' TYR . 95.7 t -70.42 -54.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.473 HD22 ' CH2' ' A' ' 35' ' ' TRP . 86.9 mt -55.06 -54.88 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.56 -46.96 73.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -44.91 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -62.61 -58.35 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -27.27 60.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -44.98 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -74.11 -54.52 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.708 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.573 0.701 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 170.95 15.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.68 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 139.74 96.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.6 23.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.532 HG22 ' SG ' ' A' ' 62' ' ' CYS . 70.5 p -59.33 -19.67 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.39 6.47 37.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -85.31 127.54 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -78.99 -175.53 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.76 -17.28 60.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.85 -44.93 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.1 m170 -51.51 -52.27 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.038 HG13 HD22 ' A' ' 61' ' ' LEU . 92.1 t -50.33 -31.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -79.37 -44.28 21.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -62.77 -52.44 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -54.68 -36.56 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.6 -60.72 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.8 mt-10 -55.22 -26.11 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -71.18 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.15 -27.01 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.6 mt -73.12 -59.38 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -12.35 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.48 -50.67 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.15 12.23 20.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 51.64 53.21 13.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.0 mt -88.61 148.92 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtt -143.19 166.21 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.34 28.43 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.1 tt -100.79 136.54 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.26 92.24 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -66.32 -30.08 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -32.85 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -58.48 -23.71 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.95 21.9 12.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.52 -29.99 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -138.08 29.69 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -92.94 101.22 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 150.76 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.28 -34.27 4.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -65.05 -44.87 87.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -77.33 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.038 HD22 HG13 ' A' ' 32' ' ' VAL . 15.3 tp -89.29 -34.68 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -79.83 -15.76 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.54 -25.17 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mmm -51.75 151.48 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -119.6 177.74 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.7 -40.48 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -58.98 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -54.26 -31.46 53.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.9 m-85 -78.83 -36.47 42.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.6 mt -69.39 -18.82 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -82.52 1.31 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.16 -39.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.535 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.45 156.33 35.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.64 165.23 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 25.1 tp -57.79 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -49.3 -52.01 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.632 ' H ' HG23 ' A' ' 74' ' ' THR . 81.1 m-20 -66.39 -35.52 80.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 98.2 m -57.83 -33.18 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.15 -39.67 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.98 -58.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.74 -56.12 15.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.65 -48.62 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -59.39 -46.7 87.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -59.5 -58.63 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -26.95 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -44.97 75.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -74.35 -54.72 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.667 0.746 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.4 12.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 139.82 96.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -29.49 23.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -59.54 -19.42 48.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.8 7.03 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.74 126.92 34.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.13 -176.0 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -17.29 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.77 -44.69 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.0 m170 -51.63 -52.33 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 61' ' ' LEU . 93.0 t -50.25 -31.24 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.04 -52.39 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.93 -35.58 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.48 -60.51 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.3 mt-10 -55.27 -26.27 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -70.12 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.02 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.5 mt -70.34 -50.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -5.3 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -99.11 -52.8 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -91.87 13.38 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 51.51 60.41 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD22 ' OD1' ' A' ' 77' ' ' ASN . 24.7 mt -93.94 149.49 21.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.7 mtt -144.13 166.66 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.13 27.56 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.533 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -99.99 136.55 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -95.01 93.56 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 p -67.22 -29.61 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -32.81 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.7 t80 -58.47 -23.63 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -117.2 22.13 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -61.21 -31.52 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.95 29.33 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.51 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.5 tpp -92.27 100.7 13.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 150.94 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.46 -35.1 3.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -46.49 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -75.78 -11.39 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.56 -35.35 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.59 -15.48 57.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -25.59 21.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.88 152.66 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.3 178.4 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.51 -40.1 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -61.08 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.97 -30.51 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.7 m-85 -79.7 -36.78 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.3 -18.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -82.76 1.59 38.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.44 -39.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.533 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.23 156.28 35.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.62 165.6 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -58.19 -51.18 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -49.45 -51.67 34.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.654 ' H ' HG23 ' A' ' 74' ' ' THR . 79.5 m-20 -65.99 -35.63 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.4 m -58.09 -34.62 70.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -39.26 67.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.38 -58.12 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -51.99 -56.24 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.61 -48.57 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -59.49 -46.63 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -59.67 -58.65 7.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -26.88 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -44.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -74.52 -54.69 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.0 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 169.61 18.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.97 139.59 95.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.14 22.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.536 HG22 ' SG ' ' A' ' 62' ' ' CYS . 75.7 p -59.08 -19.9 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.99 7.2 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -86.24 127.32 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.75 -175.33 4.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -17.28 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -44.8 7.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.53 -52.39 47.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 94.1 t -50.17 -31.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -79.22 -44.06 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.73 -52.05 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -55.19 -37.25 66.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.33 -61.55 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.6 mt-10 -53.32 -28.39 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -69.4 -62.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.45 -29.56 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -70.36 -46.96 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -75.35 -21.76 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.53 -53.53 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.3 m-85 -88.79 8.37 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m 51.63 45.95 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 49.3 mt -73.22 139.08 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 mtt -130.72 161.39 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.52 36.97 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.8 tt -108.64 136.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -96.41 91.8 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -64.66 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.15 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.1 t80 -57.93 -23.43 53.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.81 21.52 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -61.9 -30.94 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -137.36 33.29 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.8 tpp -97.22 101.2 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 151.07 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.63 4.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -45.39 86.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.3 -11.48 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 15.7 tp -89.66 -35.41 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.26 -15.73 57.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -26.14 21.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 148.9 5.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -117.67 178.0 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -51.52 -38.98 56.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -59.48 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.89 -27.92 46.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.0 m-85 -81.74 -36.74 28.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.09 -18.19 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.99 2.04 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.47 -39.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.501 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.1 156.17 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.77 164.96 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -57.73 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.33 -51.64 33.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.689 ' H ' HG23 ' A' ' 74' ' ' THR . 79.7 m-20 -64.75 -36.95 85.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.9 m -57.03 -39.79 75.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.63 -39.46 88.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.1 t -64.67 -57.85 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -53.27 -56.41 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.09 -48.35 64.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 t -60.28 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -59.57 -57.98 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -26.78 62.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -45.06 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -74.1 -54.77 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.713 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.612 0.72 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 171.98 13.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.24 -76.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 141.09 96.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -30.47 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 62' ' ' CYS . 60.8 p -58.88 -20.67 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.24 5.28 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -85.43 126.3 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -77.93 -174.5 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -17.14 62.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.17 -44.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.713 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.6 m170 -51.36 -52.61 44.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 73.6 t -50.02 -31.15 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -80.51 -40.79 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.84 -52.33 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -55.42 -37.39 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.69 -60.5 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.727 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.8 mt-10 -54.02 -27.49 32.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.58 -61.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.28 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -70.97 -48.3 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.45 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.35 -53.27 5.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.494 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.6 m-85 -88.86 8.49 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.57 44.61 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' OD1' ' A' ' 77' ' ' ASN . 46.8 mt -71.54 138.2 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 mtt -130.17 160.62 33.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.66 37.44 10.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.0 tt -109.19 136.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -95.66 90.11 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -64.93 -26.51 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -25.85 67.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.4 t80 -65.48 -23.84 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.7 22.08 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -64.97 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -134.14 32.84 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.506 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.9 tpp -99.96 100.45 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 150.88 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.39 3.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.39 85.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -75.8 -11.55 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 17.7 tp -89.54 -36.3 15.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -78.11 -16.08 58.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -89.43 -26.95 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -51.85 150.82 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.41 177.27 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -51.48 -35.64 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -60.01 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.42 -27.96 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.62 -36.52 37.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.15 -18.29 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -83.32 2.47 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.62 -39.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.499 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.39 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.69 165.13 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -57.9 -51.47 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.34 -52.1 30.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.662 ' H ' HG23 ' A' ' 74' ' ' THR . 80.9 m-20 -65.36 -36.22 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.2 m -57.63 -36.35 71.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.05 -39.22 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 43' ' ' TYR . 80.7 t -65.07 -58.92 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.46 -55.89 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -53.68 -47.61 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -59.93 -44.35 94.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -64.68 -60.14 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -32.93 63.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -47.54 64.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.72 -53.66 25.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 31' ' ' HIS . 31.6 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.17 4.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.93 -76.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 137.66 86.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 62' ' ' CYS . 30.7 p -58.86 -20.72 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -84.54 3.62 35.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -82.9 129.77 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 p -80.68 -175.67 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -16.88 62.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.98 -41.4 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.609 ' CD2' HG12 ' A' ' 20' ' ' VAL . 20.2 m170 -56.61 -51.44 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.06 HG13 HD22 ' A' ' 61' ' ' LEU . 95.8 t -50.34 -31.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -76.96 -51.97 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -57.53 -48.78 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -55.12 -34.11 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 50' ' ' THR . 4.7 tp -65.41 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.0 mt-10 -54.17 -27.68 35.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -69.9 -62.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.28 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.6 mt -71.66 -49.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -17.57 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.05 -54.74 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.96 8.6 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m 51.52 66.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.621 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.4 mt -98.71 151.15 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -144.12 167.4 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.46 29.89 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -103.5 136.79 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -96.55 89.58 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 36' ' ' LEU . 70.8 p -64.19 -24.68 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -25.36 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -68.8 -24.11 64.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.54 18.38 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.33 -25.68 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -139.42 31.43 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -98.51 99.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 150.7 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -46.04 -33.6 5.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -66.34 -43.62 85.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -78.36 -11.32 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.06 HD22 HG13 ' A' ' 32' ' ' VAL . 12.4 tp -89.11 -33.5 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.4 p -81.34 -14.33 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -91.26 -27.19 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmm -51.98 148.76 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.39 178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' HD11 ' A' ' 82' ' ' LEU . 5.7 tptm -51.77 -38.1 54.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -62.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.03 -29.57 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' A' ' 78' ' ' THR . 4.3 m-85 -77.36 -35.2 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.9 mt -69.92 -18.61 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -84.05 3.18 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.57 -39.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.28 156.73 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 7.7 t -62.22 159.47 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HA ' HD21 ' A' ' 70' ' ' LEU . 26.2 tp -52.08 -51.53 57.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.52 -54.73 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 92.0 m-20 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' HB3' ' A' ' 69' ' ' PHE . 95.9 m -63.41 -28.03 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.47 -33.82 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.9 -58.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.44 -58.53 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 66' ' ' LYS . 19.7 mt -52.47 -44.91 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -60.95 -46.58 90.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -58.11 -57.02 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -25.17 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -40.21 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -79.92 -54.37 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 31' ' ' HIS . 7.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.628 0.728 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 151.97 69.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.21 -68.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 109.35 1.36 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.88 33.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -20.96 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.77 -6.42 58.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -58.7 131.92 52.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -78.71 179.88 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -18.98 60.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -93.87 -44.06 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.524 ' CD2' HG12 ' A' ' 20' ' ' VAL . 22.6 m170 -51.98 -50.83 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.104 HG13 HD22 ' A' ' 61' ' ' LEU . 78.7 t -51.21 -35.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -73.71 -52.89 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.44 -49.41 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -58.5 -37.64 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -61.81 -59.11 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.696 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -55.44 -25.92 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -73.39 -58.92 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.02 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.5 mt -73.37 -58.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -11.57 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.81 -52.15 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 12.14 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m 51.65 52.17 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mt -85.76 146.72 26.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -141.32 167.02 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.4 28.35 15.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 tt -101.94 136.33 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.76 87.25 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 p -61.94 -22.61 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -26.06 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 t80 -67.63 -24.27 65.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -113.22 19.6 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -136.13 25.72 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.521 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -88.82 100.97 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.52 150.23 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 -37.48 6.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -63.28 -43.5 97.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.5 -12.93 60.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.104 HD22 HG13 ' A' ' 32' ' ' VAL . 18.6 tp -88.66 -31.05 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.4 m -84.38 -13.08 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.7 -28.04 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.9 mmm -51.93 152.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.93 176.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HA ' HD11 ' A' ' 82' ' ' LEU . 4.7 tptm -51.77 -37.08 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.5 -32.68 65.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 78' ' ' THR . 2.9 m-85 -72.33 -34.09 67.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.3 -19.44 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -84.14 3.02 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.41 -39.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -129.49 156.81 43.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.18 159.42 14.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.97 -51.41 57.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -49.56 -54.97 15.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.661 ' H ' HG23 ' A' ' 74' ' ' THR . 92.3 m-20 -63.78 -32.94 74.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 69' ' ' PHE . 94.4 m -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 -34.58 47.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.13 -57.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.04 -57.65 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 HG22 ' A' ' 78' ' ' THR . 24.8 mt -52.37 -48.22 65.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -59.36 -46.31 88.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -59.8 -55.18 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -25.81 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -44.46 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -73.88 -54.75 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG12 ' CD2' ' A' ' 31' ' ' HIS . 29.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.627 0.727 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 2.285 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 108.98 1.17 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -15.4 37.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.71 -22.89 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.07 -6.9 58.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -57.36 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -80.3 178.93 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -17.39 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.36 -38.89 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CD2' HG12 ' A' ' 20' ' ' VAL . 25.2 m170 -57.91 -51.92 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.083 HG13 HD22 ' A' ' 61' ' ' LEU . 84.6 t -51.37 -31.62 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -75.54 -56.52 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.03 -44.51 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -58.25 -40.39 81.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.62 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 mt-10 -52.09 -29.53 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -71.6 -61.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -31.35 20.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.8 mt -68.05 -45.8 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -16.44 57.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -43.71 11.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -102.95 10.23 38.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m 51.39 49.83 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -76.93 136.5 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.9 mtt -129.89 161.84 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.52 37.2 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 73' ' ' THR . 6.5 tt -111.17 136.03 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.15 97.89 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -70.41 -24.88 63.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -26.02 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.0 t80 -65.5 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -113.41 23.61 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -69.56 -25.12 63.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -138.21 33.2 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.497 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.1 tpp -99.79 99.67 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.57 150.44 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.14 -36.84 4.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.731 0.301 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.083 HD22 HG13 ' A' ' 32' ' ' VAL . 65.5 tp -88.02 -28.63 21.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.1 m -87.62 -14.67 39.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -90.04 -29.03 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 mmm -52.16 158.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.18 178.43 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tttm -51.86 -38.4 55.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -60.28 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.63 -31.33 57.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.517 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.9 m-85 -79.67 -34.32 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -68.9 -17.42 63.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -83.06 2.01 37.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.32 -39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -122.15 155.97 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.0 t -63.07 165.62 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.7 tp -57.9 -52.8 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -49.45 -51.13 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.693 ' H ' HG23 ' A' ' 74' ' ' THR . 77.7 m-20 -64.0 -36.64 84.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.608 HG21 ' HG3' ' A' ' 66' ' ' LYS . 89.6 m -57.81 -41.69 82.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.37 87.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -68.09 -54.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.04 -54.95 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.8 mm? -54.92 -45.47 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 t -62.89 -46.23 88.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -59.99 -56.88 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -25.66 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -44.21 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -75.07 -54.17 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.592 0.71 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -76.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.47 141.79 97.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -30.48 22.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -58.95 -20.0 48.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -88.61 8.85 26.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -87.87 126.67 35.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -78.81 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -17.11 60.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -95.77 -43.22 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.719 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.8 m170 -53.82 -52.16 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.984 HG13 HD22 ' A' ' 61' ' ' LEU . 77.6 t -50.2 -31.01 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -79.7 -45.56 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -54.17 -35.74 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 53' ' ' PHE . 4.6 tp -62.15 -62.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 40' ' ' ILE . 9.3 mt-10 -54.61 -26.87 35.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.77 -63.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.07 -30.47 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.2 mt -69.95 -48.93 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -18.6 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.84 -54.64 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -89.56 8.3 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m 51.67 58.4 5.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.594 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -88.1 151.96 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -144.22 166.98 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.47 29.92 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.549 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.9 tt -104.09 136.62 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.03 91.87 6.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.5 p -65.29 -27.2 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -25.1 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -66.3 -22.84 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' HD21 ' A' ' 36' ' ' LEU . 25.3 m-85 -115.73 21.38 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -143.3 35.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -101.83 100.08 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 150.95 25.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.34 -34.06 4.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -44.75 89.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -78.23 -11.26 59.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.984 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.61 -35.33 15.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.3 p -78.1 -16.7 57.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -25.27 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 151.19 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 177.64 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.44 -36.52 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -59.83 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.5 -27.5 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.6 m-85 -81.57 -36.21 29.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.8 mt -69.37 -18.77 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.58 1.42 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.19 -39.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.549 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -122.99 156.26 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.78 166.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -58.15 -51.44 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -49.5 -51.21 37.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 93.2 m-20 -66.41 -35.3 79.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.7 m -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.02 -38.3 57.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.55 -57.91 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -51.86 -54.79 25.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -55.15 -45.7 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -43.91 98.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -63.96 -60.11 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -32.83 64.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -45.2 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.08 -55.02 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.706 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.617 0.722 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.04 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -76.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.55 141.82 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.05 28.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.571 HG22 ' SG ' ' A' ' 62' ' ' CYS . 78.4 p -61.32 -18.53 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 23' ' ' ASP . 5.1 mp -94.82 17.22 14.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -93.22 122.14 35.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -71.86 -178.89 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -17.66 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -95.71 -43.61 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.706 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.2 m170 -51.45 -53.22 39.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 61' ' ' LEU . 73.0 t -50.19 -30.63 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -79.99 -45.65 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -61.74 -49.91 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.416 ' CH2' HD22 ' A' ' 81' ' ' LEU . 57.4 t90 -55.62 -36.59 67.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.17 -62.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.6 mt-10 -54.98 -26.49 37.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -69.82 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.14 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.0 mt -71.61 -47.41 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -18.07 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.58 -55.72 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -88.52 7.99 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.0 m 51.66 65.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.5 mt -95.57 151.52 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.2 mtt -143.54 166.03 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.37 31.52 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.5 tt -106.42 136.02 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.54 88.83 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -63.11 -27.3 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -35.87 71.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.55 -27.04 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -111.59 25.61 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -21.97 66.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.22 29.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.529 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -94.21 97.94 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.46 150.91 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.15 -35.88 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.436 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -47.05 86.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.97 -12.26 59.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.982 HD22 HG13 ' A' ' 32' ' ' VAL . 14.8 tp -88.96 -35.88 16.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.571 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -77.7 -16.81 58.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -22.97 22.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -51.93 154.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.19 178.4 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -51.55 -44.57 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.77 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.56 -33.14 59.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 5.3 m-85 -78.08 -36.21 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.4 mt -69.23 -18.4 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.32 1.13 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.64 -39.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.542 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -121.94 156.19 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.88 166.71 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.612 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.5 tp -58.5 -51.52 69.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -49.34 -50.88 37.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 91.0 m-20 -66.7 -35.83 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.9 m -57.62 -31.54 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.44 -39.1 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.31 -57.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CH2' ' A' ' 35' ' ' TRP . 74.0 mt -51.65 -54.24 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.57 -45.08 77.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -62.14 -43.66 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -64.28 -59.86 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -32.33 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -43.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.68 -54.9 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 31' ' ' HIS . 33.2 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.576 0.703 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.9 58.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.63 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.71 109.5 1.42 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.6 24.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.485 HG22 ' SG ' ' A' ' 62' ' ' CYS . 9.5 p -82.32 -24.14 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.62 -1.05 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -65.6 129.14 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 p -77.83 177.83 7.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -18.0 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.46 -39.22 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -56.95 -52.83 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.032 HG13 HD22 ' A' ' 61' ' ' LEU . 72.8 t -50.7 -33.52 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.8 -47.44 59.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -55.01 -39.6 69.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.38 -62.46 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.753 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -53.22 -28.64 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -69.53 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.92 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.5 mt -70.14 -48.12 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -17.28 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -51.85 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -92.94 8.53 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.0 m 51.57 71.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.8 mt -104.18 152.59 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtt -144.4 167.92 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 63.48 29.31 15.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.493 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -101.77 140.65 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.8 89.1 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.1 p -63.95 -30.22 71.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -27.78 53.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.0 t80 -67.46 -24.66 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.51 23.53 13.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.91 -32.82 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -132.65 35.08 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.484 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.1 tpp -98.0 100.21 11.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.76 150.69 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.69 -34.6 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.02 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.23 -11.28 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.032 HD22 HG13 ' A' ' 32' ' ' VAL . 25.4 tp -89.25 -33.66 16.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.485 ' SG ' HG22 ' A' ' 25' ' ' THR . 19.3 p -81.23 -15.65 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -89.09 -29.34 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.0 150.98 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -120.38 178.28 4.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tptt -51.83 -40.14 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -58.12 6.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.93 -30.16 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.526 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.55 -34.25 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -68.97 -18.01 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -82.94 1.86 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.4 -39.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.493 ' OG1' HD12 ' A' ' 48' ' ' ILE . 7.0 t -123.17 156.14 35.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.8 t -62.81 165.14 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HA ' HD21 ' A' ' 70' ' ' LEU . 29.0 tp -57.79 -51.75 68.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -49.46 -51.91 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.677 ' H ' HG23 ' A' ' 74' ' ' THR . 87.3 m-20 -65.08 -36.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.0 m -57.29 -40.63 78.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.36 -38.19 87.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.3 -55.62 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.3 -55.61 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -54.11 -47.44 71.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -61.29 -45.7 93.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.68 -57.86 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -32.37 67.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.56 -30.48 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -89.19 -50.06 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 30.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 152.88 69.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -51.59 109.37 1.36 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.4 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.482 HG22 ' SG ' ' A' ' 62' ' ' CYS . 10.0 p -82.66 -24.97 33.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 -1.16 57.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -65.59 127.86 33.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.9 p -76.07 178.56 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -18.29 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -94.87 -43.26 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.6 m170 -51.69 -52.48 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 78.5 t -50.67 -30.91 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -75.71 -55.81 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.02 -44.37 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -57.93 -40.53 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 50' ' ' THR . 3.3 tp -60.8 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 40' ' ' ILE . 14.1 mt-10 -52.31 -29.3 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -71.51 -61.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.3 -30.7 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.0 -48.87 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -73.61 -19.01 60.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.74 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.31 7.55 31.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 m 51.65 67.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 ' OD1' ' A' ' 77' ' ' ASN . 45.8 mt -99.33 152.8 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 mtt -144.28 166.83 23.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.24 30.64 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.7 tt -104.27 136.18 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.52 88.62 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.466 HG22 HD23 ' A' ' 36' ' ' LEU . 62.9 p -64.6 -23.86 67.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -25.68 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 15.7 t80 -69.81 -25.24 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.93 11.63 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.24 -26.83 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.61 39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.49 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -108.85 100.26 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.68 150.57 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.83 -34.01 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -44.08 87.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -77.81 -11.87 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 14.9 tp -88.76 -35.37 16.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.482 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -78.74 -15.59 58.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -90.99 -26.12 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.5 mmm -51.85 149.18 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.08 -179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD11 ' A' ' 82' ' ' LEU . 3.2 tptm -51.78 -39.12 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.93 -58.88 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.63 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.58 ' HB3' HG23 ' A' ' 78' ' ' THR . 5.1 m-85 -83.41 -33.94 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.9 -18.4 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -84.16 3.11 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.67 -39.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -127.4 156.89 41.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.2 t -62.08 158.92 15.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CA ' HD21 ' A' ' 70' ' ' LEU . 32.6 tp -51.75 -50.04 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.81 -55.51 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.69 ' OD1' HD22 ' A' ' 45' ' ' LEU . 97.0 m-20 -64.78 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.58 HG23 ' HB3' ' A' ' 69' ' ' PHE . 96.2 m -63.16 -27.08 69.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.15 -34.73 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.48 -58.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -51.5 -58.0 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 66' ' ' LYS . 17.0 mt -52.53 -47.17 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 t -59.48 -46.25 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -58.3 -55.76 30.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -31.84 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -87.74 -50.26 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.653 0.74 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.77 67.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.57 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.87 111.72 3.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.55 36.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -18.58 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.02 -7.82 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -58.13 132.76 54.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -80.57 -179.43 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -17.53 59.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.56 -42.4 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 20' ' ' VAL . 21.3 m170 -53.5 -52.19 60.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 79.0 t -50.92 -34.83 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -73.77 -52.91 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -53.5 -50.52 65.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -56.71 -36.37 69.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.9 tp -62.61 -59.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt-10 -55.39 -26.2 40.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.74 -59.4 2.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.02 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.9 mt -73.06 -59.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -12.08 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -93.7 -51.08 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.451 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.5 m-85 -91.35 12.33 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m 51.52 52.34 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.6 mt -87.09 149.35 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtt -144.32 166.67 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 63.33 26.3 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.454 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -98.54 136.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -92.81 94.1 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.5 p -70.84 -25.29 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -25.77 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.2 -24.35 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -111.61 21.63 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.43 -25.91 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -137.53 39.15 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 tpp -106.37 99.12 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.36 150.29 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.37 -37.01 3.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.0 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.36 -11.03 60.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 54.7 tp -87.65 -28.16 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.82 -15.72 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -89.61 -29.72 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -52.05 149.81 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.0 178.58 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.579 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.1 tptt -51.61 -37.35 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.77 -59.46 3.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -54.95 -28.0 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' THR . 2.5 m-85 -83.86 -32.06 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.9 mt -69.39 -18.65 63.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -83.14 1.96 37.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.82 -39.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -124.41 156.19 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.76 165.74 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.8 tp -57.8 -52.14 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -49.49 -52.17 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 80.7 m-20 -63.87 -36.77 85.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.579 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.9 m -58.19 -40.72 82.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.2 t -66.41 -55.09 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.51 -55.21 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.32 -47.82 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -61.17 -45.7 93.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.68 -56.78 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -35.13 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -51.86 -30.91 25.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -54.27 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.73 68.56 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -67.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' HB2' HD12 ' A' ' 26' ' ' LEU . 23.5 m-20 -50.68 108.79 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.703 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.3 Cg_endo -69.8 -16.0 37.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.63 -23.03 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' A' ' 23' ' ' ASP . 81.6 mt -85.74 -6.89 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -57.83 134.01 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 p -81.87 179.51 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -17.6 58.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -95.42 -39.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.4 m170 -57.36 -51.25 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.054 HG13 HD22 ' A' ' 61' ' ' LEU . 86.9 t -51.22 -31.26 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.62 -55.63 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -52.02 -45.15 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -58.19 -38.84 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.46 -60.69 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 40' ' ' ILE . 10.1 mt-10 -53.94 -27.39 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.05 -62.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.96 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -69.61 -48.28 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -19.37 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -55.45 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.7 m-85 -88.46 7.87 30.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.75 57.32 6.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -86.62 152.27 22.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 mtt -143.89 166.28 25.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.35 30.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.4 tt -105.37 136.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.45 94.96 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -68.46 -24.04 64.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -26.22 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -66.19 -25.53 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -112.78 23.7 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -68.21 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.15 34.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -101.23 100.38 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 150.44 27.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.01 6.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -63.04 -43.92 97.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -77.16 -11.76 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.054 HD22 HG13 ' A' ' 32' ' ' VAL . 61.7 tp -87.81 -27.59 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.4 m -88.84 -13.3 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -26.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.1 mmm -52.96 160.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.62 177.79 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.2 tptt -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.91 -59.59 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.24 -34.87 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.502 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.3 m-85 -77.04 -32.41 56.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.7 mt -69.56 -19.21 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -83.06 1.88 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -131.83 -39.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -123.95 156.23 36.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.2 t -62.7 165.9 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.578 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.6 tp -57.82 -51.49 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -49.61 -51.27 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.651 ' H ' HG23 ' A' ' 74' ' ' THR . 94.0 m-20 -66.33 -34.85 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.586 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.4 m -59.26 -31.03 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.51 -37.45 56.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 43' ' ' TYR . 93.7 t -67.94 -55.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.64 -55.11 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.34 -45.75 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -62.14 -45.53 93.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.6 -57.84 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.48 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -35.15 46.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -81.9 -55.3 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 31' ' ' HIS . 34.7 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.655 0.74 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 153.59 68.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.74 -67.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.55 109.31 1.33 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 62' ' ' CYS . 12.8 p -82.29 -24.29 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.9 mt -87.13 -1.36 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -65.19 126.58 28.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -74.54 177.46 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -18.88 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.93 -43.27 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.5 m170 -51.64 -51.88 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.986 HG13 HD22 ' A' ' 61' ' ' LEU . 69.2 t -51.21 -30.01 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -77.38 -52.72 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -53.37 -47.83 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.444 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.3 t90 -56.28 -39.88 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 53' ' ' PHE . 3.2 tp -60.32 -61.49 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' ILE . 24.9 mt-10 -53.93 -27.37 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -72.61 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.41 -30.56 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -69.97 -48.09 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -19.04 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 -55.29 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.9 m-85 -88.55 7.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t 51.92 57.15 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.0 mt -86.68 151.49 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.1 mtt -144.43 165.21 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 63.32 32.02 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' OG1' ' A' ' 73' ' ' THR . 7.4 tt -106.87 135.87 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -94.01 86.47 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -62.26 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -35.26 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.37 -26.16 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' CD1' HD21 ' A' ' 36' ' ' LEU . 21.9 m-85 -112.48 24.32 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -23.5 67.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.91 25.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.6 tpp -88.39 101.42 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.44 150.87 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.35 -35.64 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -46.39 85.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -75.63 -10.86 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.986 HD22 HG13 ' A' ' 32' ' ' VAL . 20.1 tp -90.4 -33.01 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -83.05 -13.9 54.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -32.31 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.29 145.62 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.407 ' ND2' ' H ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -115.73 -177.15 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HG3' HG21 ' A' ' 78' ' ' THR . 3.6 tptm -51.06 -44.78 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.09 -62.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.407 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 23.0 m-20 -51.76 -37.65 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.4 m-85 -71.91 -33.18 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.53 -18.76 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -83.15 1.99 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.52 -39.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' PHE . 6.3 t -123.91 156.42 36.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.69 165.47 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 24.2 tp -57.33 -51.18 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -49.46 -52.21 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.643 ' H ' HG23 ' A' ' 74' ' ' THR . 92.7 m-20 -65.79 -34.97 79.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.561 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.7 m -59.19 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.91 -37.54 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' CD2' ' A' ' 43' ' ' TYR . 83.1 t -67.17 -56.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' CH2' ' A' ' 35' ' ' TRP . 78.1 mt -53.42 -54.9 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.67 -45.95 73.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 t -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -64.46 -58.38 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -34.68 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -51.62 -30.17 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -88.89 -50.31 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 31' ' ' HIS . 35.9 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.615 0.721 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.65 59.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.76 -67.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 123.46 61.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.4 p -61.85 -17.39 56.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.2 3.5 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -77.5 132.42 38.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -80.57 -179.46 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.58 57.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.47 -43.25 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.635 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.89 -51.5 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 HD22 ' A' ' 61' ' ' LEU . 75.0 t -51.1 -29.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -78.24 -54.88 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -53.49 -45.95 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -56.68 -39.47 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.71 -60.73 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.5 mt-10 -51.97 -29.58 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -70.43 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.25 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.4 mt -70.45 -47.8 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -18.33 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -51.0 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-85 -91.63 9.42 32.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m 51.66 47.72 24.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.574 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.4 mt -78.4 151.14 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 mtt -144.34 166.97 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.42 30.8 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.531 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.6 tt -101.67 151.29 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.01 90.12 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -67.06 -26.99 67.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -25.26 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.453 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.9 t80 -66.35 -24.87 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -113.86 20.46 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.52 -30.7 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -135.68 43.78 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -109.41 103.1 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 150.75 26.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.95 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -45.92 83.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.65 -11.23 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.922 HD22 HG13 ' A' ' 32' ' ' VAL . 27.2 tp -89.39 -36.72 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -78.39 -17.14 56.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.26 -28.12 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -53.94 139.19 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -106.31 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.63 ' HG3' HG21 ' A' ' 78' ' ' THR . 5.0 tttm -51.94 -31.63 29.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.32 -52.96 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.13 -25.97 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.7 m-85 -81.25 -32.41 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.8 mt -69.28 -18.17 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.0 1.91 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.21 -39.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.531 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.15 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.98 165.73 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 70' ' ' LEU . 23.7 tp -58.06 -52.86 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.2 -50.95 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 74' ' ' THR . 77.6 m-20 -64.21 -36.96 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.63 HG21 ' HG3' ' A' ' 66' ' ' LYS . 90.6 m -57.09 -43.19 81.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.13 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 43' ' ' TYR . 97.9 t -66.7 -54.64 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.1 mt -57.48 -54.93 41.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.87 -45.81 74.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.8 t -62.72 -45.91 90.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -62.33 -56.83 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -32.7 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -30.93 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -87.73 -51.96 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.591 0.71 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.54 140.34 94.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.7 19.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.1 p -58.99 -20.31 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.23 5.81 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -85.25 123.41 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 p -74.96 -177.13 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.65 -16.97 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 -42.69 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.0 m170 -53.95 -51.04 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 56' ' ' MET . 92.9 t -51.0 -30.81 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.41 -42.01 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.06 -54.44 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.407 ' CH2' HD22 ' A' ' 81' ' ' LEU . 63.9 t90 -53.18 -31.87 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.3 tp -65.04 -62.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -52.53 -28.94 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.98 -59.6 2.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -26.16 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.3 mt -73.66 -53.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -4.02 43.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -98.25 -55.56 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -92.48 14.69 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 51.53 71.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD22 ' OD1' ' A' ' 77' ' ' ASN . 33.1 mt -105.13 145.2 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 mtt -139.92 166.33 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.49 27.41 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.2 tt -99.28 136.64 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.1 94.93 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 p -66.84 -24.31 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -34.38 77.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -57.41 -23.92 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' HD21 ' A' ' 36' ' ' LEU . 14.4 m-85 -115.87 22.69 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -65.04 -25.28 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -142.72 29.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.561 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -94.75 99.96 11.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.64 149.91 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.94 -34.66 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.26 -47.14 74.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -74.36 -12.19 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.58 ' O ' HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -90.49 -50.84 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.7 p -62.94 -19.52 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -86.76 -25.05 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 mmm -52.18 149.04 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.96 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -51.91 -47.25 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -58.68 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.05 -41.03 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 82' ' ' LEU . 1.1 m-85 -65.65 -37.99 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 75' ' ' LEU . 10.4 mt -69.32 -17.91 63.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -83.94 3.02 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.35 -39.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.5 t -124.85 156.36 37.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.66 165.78 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.1 tp -58.22 -53.42 58.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -48.94 -50.3 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.697 ' H ' HG23 ' A' ' 74' ' ' THR . 77.5 m-20 -64.21 -37.49 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 69' ' ' PHE . 63.5 m -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.34 -38.7 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.84 -54.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 ' CH2' ' A' ' 35' ' ' TRP . 37.6 mt -58.58 -53.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.1 mm? -55.66 -44.54 77.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -63.86 -45.65 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -62.06 -56.27 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.36 70.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -35.54 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -82.31 -55.47 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.634 0.731 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 153.15 69.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 109.12 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.706 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.06 -19.6 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -91.08 -6.52 53.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -58.06 134.57 56.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 p -81.0 178.49 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -18.12 57.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -95.59 -43.08 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 24.0 m170 -51.56 -52.53 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.102 HG13 HD22 ' A' ' 61' ' ' LEU . 89.5 t -50.88 -30.21 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -76.66 -54.85 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -53.18 -46.08 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.73 -61.34 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' ILE . 5.7 mt-10 -52.76 -29.03 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -70.91 -61.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.11 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.8 -52.46 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -16.0 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.6 -52.71 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.447 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.5 m-85 -89.98 10.03 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m 51.6 54.01 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 34.9 mt -86.23 151.0 23.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 mtt -143.94 167.89 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.32 28.41 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -102.86 137.29 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.1 87.56 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.6 p -62.35 -27.43 69.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -25.81 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 6.3 t80 -67.49 -24.77 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -112.28 21.61 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -67.01 -27.5 67.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -135.84 42.78 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.3 tpp -110.23 101.86 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 150.21 28.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.55 -36.09 4.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -46.74 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.82 -11.15 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.102 HD22 HG13 ' A' ' 32' ' ' VAL . 61.8 tp -88.51 -29.7 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.61 -15.73 44.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -89.69 -28.63 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -51.88 150.27 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.6 179.55 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.6 tptt -52.12 -39.73 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.06 -59.28 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.71 -28.12 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -83.35 -33.9 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -69.25 -18.26 63.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -82.71 1.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.8 -39.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.519 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.43 156.25 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.9 165.58 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.0 tp -57.73 -52.17 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -49.48 -51.99 32.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.676 ' H ' HG23 ' A' ' 74' ' ' THR . 87.9 m-20 -63.91 -36.16 83.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.413 HG21 ' HG3' ' A' ' 66' ' ' LYS . 84.8 m -58.64 -40.21 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.34 -36.73 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 43' ' ' TYR . 90.7 t -68.92 -53.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.4 -54.68 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.9 -45.12 74.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -63.47 -46.29 86.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -60.6 -56.29 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.35 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -32.3 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -85.08 -54.43 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.696 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.3 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 175.62 7.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -76.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 141.77 97.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.62 24.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.547 HG22 ' SG ' ' A' ' 62' ' ' CYS . 81.7 p -59.83 -19.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -91.09 12.65 19.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -90.68 123.99 34.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -75.72 -178.17 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.84 -17.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.3 -43.87 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.696 ' CD2' HG12 ' A' ' 20' ' ' VAL . 10.7 m170 -51.92 -51.8 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 56' ' ' MET . 97.6 t -50.92 -32.3 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -76.83 -40.78 46.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -67.12 -53.38 31.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -54.25 -31.79 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -65.15 -62.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -54.3 -27.43 35.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -70.2 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.18 -30.19 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -69.55 -46.47 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -77.05 -18.4 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.94 -45.51 10.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CD2' HG11 ' A' ' 80' ' ' VAL . 39.9 m-85 -99.37 10.19 41.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m 51.46 44.48 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.1 mt -72.07 143.52 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 mtt -137.27 161.86 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.41 35.78 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.471 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.5 tt -106.54 136.38 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.85 99.25 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.8 p -72.44 -23.58 61.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -29.86 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -62.02 -24.0 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.4 m-85 -115.66 23.25 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -65.39 -25.1 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -145.14 30.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -95.04 99.85 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.42 150.28 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.05 -35.27 3.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -48.97 70.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -87.99 -51.96 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.9 p -62.0 -22.32 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.58 1.49 48.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmm -74.18 161.42 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.85 176.31 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.73 -42.44 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -57.05 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.16 -34.13 59.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.1 m-85 -75.59 -36.81 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.4 mt -69.55 -17.8 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -83.6 2.74 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.501 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.43 -39.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 48' ' ' ILE . 5.8 t -123.74 156.39 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.78 165.5 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 47.9 tp -58.51 -49.36 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.14 -51.92 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 74' ' ' THR . 68.2 m-20 -67.96 -35.52 78.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.8 m -56.18 -32.97 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.57 -41.78 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 43' ' ' TYR . 85.8 t -62.52 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.72 -53.99 33.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.27 -44.6 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -62.86 -44.93 94.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.99 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -33.47 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -84.87 -55.59 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.48 69.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.34 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.67 108.77 1.1 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -17.2 37.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -21.84 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.26 -8.13 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -58.13 131.37 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -80.81 179.73 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -17.56 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 -39.86 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.0 m170 -57.25 -51.88 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.016 HG13 HD22 ' A' ' 61' ' ' LEU . 82.5 t -50.87 -30.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -77.7 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.13 -45.49 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -56.75 -39.47 74.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.34 -61.2 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.6 mt-10 -52.13 -29.51 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -70.27 -62.41 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.03 -31.23 17.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.6 mt -69.35 -49.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.34 -53.48 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.1 m-85 -89.54 9.47 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 51.57 45.52 27.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.7 mt -75.0 151.62 38.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 mtt -144.23 166.33 25.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 63.39 31.33 15.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.6 tt -103.44 142.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.54 93.42 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -68.31 -25.84 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -26.16 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.5 t80 -66.98 -25.66 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -112.21 23.63 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.74 -25.59 64.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -138.9 39.21 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.5 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.7 tpp -106.53 100.16 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 150.39 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.88 5.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.3 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.86 -11.06 60.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.016 HD22 HG13 ' A' ' 32' ' ' VAL . 65.8 tp -87.99 -29.31 20.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.4 m -85.21 -16.51 40.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -88.71 -25.31 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 mmm -56.33 148.47 18.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.24 178.94 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.2 tptt -51.86 -38.75 57.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.62 -59.99 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.38 -27.43 36.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.518 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.9 m-85 -84.0 -34.68 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.09 -18.07 63.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -82.81 1.67 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.11 -39.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.15 156.09 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.9 t -62.98 165.4 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 13.1 tp -58.11 -52.76 64.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -49.37 -50.3 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.701 ' H ' HG23 ' A' ' 74' ' ' THR . 75.5 m-20 -64.47 -36.94 85.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 66' ' ' LYS . 62.1 m -56.48 -44.26 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.41 -38.14 88.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 43' ' ' TYR . 86.6 t -66.28 -53.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.99 -55.1 39.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.22 -46.3 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.28 -46.62 85.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' ND1' HD11 ' A' ' 88' ' ' LEU . 26.3 t-80 -59.86 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.807 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -57.46 -30.4 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -33.2 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -83.19 -47.01 12.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 85' ' ' LEU . 5.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m 59.93 69.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -176.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.58 73.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.66 123.75 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -132.23 51.49 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.67 177.28 1.4 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 104.43 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -62.19 158.27 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.47 ' CE ' HG22 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -63.63 160.24 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -77.89 145.37 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.559 HG21 ' H ' ' A' ' 17' ' ' ARG . 15.0 t -174.34 165.14 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -60.71 -59.58 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -113.99 -71.71 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -172.26 80.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' H ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -168.77 168.52 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG21 ' CG ' ' A' ' 38' ' ' TRP . 20.1 t -104.2 150.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.4 mt -122.03 87.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.6 m -134.25 154.86 80.21 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.49 53.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -64.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 121.45 71.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.79 34.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -68.91 -18.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.2 mt -89.88 -5.1 57.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -64.68 131.45 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 p -80.86 -177.76 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.47 -17.53 59.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -95.39 -43.63 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.1 m170 -52.71 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.969 HG13 HD22 ' A' ' 61' ' ' LEU . 78.3 t -50.95 -31.0 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -80.18 -43.49 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.57 -53.13 60.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.4 t90 -56.35 -33.89 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.15 -60.24 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.8 mt-10 -56.58 -24.82 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.48 ' CG ' HG21 ' A' ' 18' ' ' VAL . 34.2 t90 -71.49 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -29.76 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.5 mt -70.62 -48.23 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -74.53 -19.84 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -54.38 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.8 m-85 -88.88 8.55 28.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 m 51.68 51.15 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.609 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.4 mt -80.6 150.52 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -143.23 167.8 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.37 25.69 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -101.08 136.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -96.52 87.57 4.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -62.31 -23.95 67.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -61.92 -36.03 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.69 -27.13 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -110.84 25.33 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.46 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -143.08 34.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -99.45 100.99 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 150.35 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.1 -41.05 4.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.89 82.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -72.9 -11.01 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.969 HD22 HG13 ' A' ' 32' ' ' VAL . 63.5 tp -88.12 -30.31 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.41 -17.4 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -87.27 -25.82 23.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.68 145.27 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -115.16 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG3' HG21 ' A' ' 78' ' ' THR . 0.9 OUTLIER -51.82 -41.34 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.66 -59.83 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.95 -32.24 44.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.3 m-85 -79.87 -30.96 40.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 75' ' ' LEU . 9.5 mt -69.8 -19.72 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -83.94 3.05 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.25 -38.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.0 t -125.72 156.36 39.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.65 164.05 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.2 tp -55.92 -52.06 65.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -49.41 -52.08 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.664 ' H ' HG23 ' A' ' 74' ' ' THR . 89.3 m-20 -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.509 HG21 ' HG3' ' A' ' 66' ' ' LYS . 98.2 m -61.55 -30.35 70.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -35.6 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 43' ' ' TYR . 95.7 t -70.42 -54.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.473 HD22 ' CH2' ' A' ' 35' ' ' TRP . 86.9 mt -55.06 -54.88 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.56 -46.96 73.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -44.91 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -62.61 -58.35 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -27.27 60.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -44.98 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -74.11 -54.52 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 mp -51.8 -33.84 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -68.3 -38.26 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.52 38.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 120.29 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -130.84 53.59 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m 57.78 26.5 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -111.0 -179.52 20.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.43 27.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.392 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -90.86 141.3 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -176.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -70.68 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.809 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.18 157.68 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 132.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -67.32 133.39 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -113.31 -69.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.06 -174.55 20.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 167.74 23.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 176.8 6.35 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.274 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -87.58 -66.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.59 ' HE1' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -75.6 129.96 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.66 110.51 4.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.611 HG22 ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -169.67 100.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.85 -30.47 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -176.48 33.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HB2' HG22 ' A' ' 13' ' ' THR . 6.6 mtp180 -115.91 -170.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 -171.96 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.59 HG13 ' HE1' ' A' ' 11' ' ' MET . 14.1 t -96.19 152.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 mt -120.76 87.48 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.708 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m -136.06 154.96 77.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 170.95 15.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.68 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 139.74 96.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.6 23.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.532 HG22 ' SG ' ' A' ' 62' ' ' CYS . 70.5 p -59.33 -19.67 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.39 6.47 37.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -85.31 127.54 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -78.99 -175.53 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.76 -17.28 60.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.85 -44.93 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.1 m170 -51.51 -52.27 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.038 HG13 HD22 ' A' ' 61' ' ' LEU . 92.1 t -50.33 -31.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -79.37 -44.28 21.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -62.77 -52.44 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -54.68 -36.56 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.6 -60.72 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.8 mt-10 -55.22 -26.11 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.507 ' CG ' HG21 ' A' ' 18' ' ' VAL . 33.0 t90 -71.18 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.15 -27.01 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.6 mt -73.12 -59.38 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -12.35 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.48 -50.67 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.15 12.23 20.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 51.64 53.21 13.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.0 mt -88.61 148.92 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtt -143.19 166.21 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.34 28.43 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.1 tt -100.79 136.54 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.26 92.24 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -66.32 -30.08 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -32.85 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -58.48 -23.71 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.95 21.9 12.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.52 -29.99 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -138.08 29.69 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -92.94 101.22 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 150.76 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.28 -34.27 4.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -65.05 -44.87 87.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -77.33 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.038 HD22 HG13 ' A' ' 32' ' ' VAL . 15.3 tp -89.29 -34.68 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -79.83 -15.76 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.54 -25.17 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mmm -51.75 151.48 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -119.6 177.74 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.7 -40.48 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -58.98 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -54.26 -31.46 53.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.9 m-85 -78.83 -36.47 42.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.6 mt -69.39 -18.82 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -82.52 1.31 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.16 -39.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.535 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.45 156.33 35.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.64 165.23 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 25.1 tp -57.79 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -49.3 -52.01 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.632 ' H ' HG23 ' A' ' 74' ' ' THR . 81.1 m-20 -66.39 -35.52 80.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 98.2 m -57.83 -33.18 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.15 -39.67 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.98 -58.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.74 -56.12 15.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.65 -48.62 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -59.39 -46.7 87.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -59.5 -58.63 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -26.95 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -44.97 75.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -74.35 -54.72 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.55 -33.55 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -72.28 -36.13 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -96.07 33.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.76 -177.74 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.79 170.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.8 t -107.11 -35.13 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.59 173.68 4.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.2 11.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -175.15 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 p -162.71 99.39 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 140.82 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -35.79 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.57 75.55 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.6 142.38 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.54 -36.26 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.43 -74.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.18 22.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -56.01 -72.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.509 ' HE2' HG13 ' A' ' 18' ' ' VAL . 6.7 ttt -93.31 144.58 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -81.7 129.42 34.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 16' ' ' ARG . 15.4 t -175.75 169.24 3.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -99.66 34.8 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER 56.59 87.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.77 -174.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' CG ' ' A' ' 38' ' ' TRP . 16.2 t -133.65 150.47 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.3 mt -120.64 87.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m -135.71 154.97 78.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.667 0.746 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.4 12.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 139.82 96.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -29.49 23.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -59.54 -19.42 48.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.8 7.03 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.74 126.92 34.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.13 -176.0 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -17.29 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.77 -44.69 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.0 m170 -51.63 -52.33 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 61' ' ' LEU . 93.0 t -50.25 -31.24 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.04 -52.39 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.93 -35.58 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.48 -60.51 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.3 mt-10 -55.27 -26.27 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.512 ' CG ' HG21 ' A' ' 18' ' ' VAL . 33.8 t90 -70.12 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.02 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.5 mt -70.34 -50.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -5.3 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -99.11 -52.8 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -91.87 13.38 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 51.51 60.41 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD22 ' OD1' ' A' ' 77' ' ' ASN . 24.7 mt -93.94 149.49 21.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.7 mtt -144.13 166.66 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.13 27.56 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.533 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -99.99 136.55 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -95.01 93.56 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 p -67.22 -29.61 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -32.81 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.7 t80 -58.47 -23.63 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -117.2 22.13 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -61.21 -31.52 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.95 29.33 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.51 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.5 tpp -92.27 100.7 13.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 150.94 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.46 -35.1 3.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -46.49 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -75.78 -11.39 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.56 -35.35 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.59 -15.48 57.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -25.59 21.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.88 152.66 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.3 178.4 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.51 -40.1 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -61.08 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.97 -30.51 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.7 m-85 -79.7 -36.78 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.3 -18.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -82.76 1.59 38.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.44 -39.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.533 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.23 156.28 35.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.62 165.6 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -58.19 -51.18 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -49.45 -51.67 34.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.654 ' H ' HG23 ' A' ' 74' ' ' THR . 79.5 m-20 -65.99 -35.63 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.4 m -58.09 -34.62 70.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -39.26 67.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.38 -58.12 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -51.99 -56.24 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.61 -48.57 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -59.49 -46.63 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -59.67 -58.65 7.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -26.88 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -44.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -74.52 -54.69 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.53 -33.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -72.1 -35.68 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.39 36.25 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -128.37 26.59 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.13 136.56 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t 57.91 -179.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.01 175.38 28.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -35.17 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -35.85 77.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.76 46.82 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -109.26 -63.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.6 37.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.61 -72.82 0.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.3 98.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -33.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.47 70.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.74 23.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 131.02 20.39 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -96.09 153.87 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.583 ' HE1' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -88.03 137.32 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.7 110.39 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -95.49 -3.54 46.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.37 39.71 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -169.27 -75.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.69 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.83 153.58 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.583 HG13 ' HE1' ' A' ' 11' ' ' MET . 15.5 t -63.93 152.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.6 mt -119.45 87.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.0 m -136.36 155.06 77.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 169.61 18.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.97 139.59 95.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.14 22.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.536 HG22 ' SG ' ' A' ' 62' ' ' CYS . 75.7 p -59.08 -19.9 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.99 7.2 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -86.24 127.32 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.75 -175.33 4.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -17.28 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -44.8 7.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.53 -52.39 47.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 94.1 t -50.17 -31.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -79.22 -44.06 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.73 -52.05 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -55.19 -37.25 66.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.33 -61.55 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.6 mt-10 -53.32 -28.39 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CG ' HG21 ' A' ' 18' ' ' VAL . 34.6 t90 -69.4 -62.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.45 -29.56 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -70.36 -46.96 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -75.35 -21.76 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.53 -53.53 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.3 m-85 -88.79 8.37 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m 51.63 45.95 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 49.3 mt -73.22 139.08 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 mtt -130.72 161.39 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.52 36.97 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.8 tt -108.64 136.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -96.41 91.8 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -64.66 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.15 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.1 t80 -57.93 -23.43 53.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.81 21.52 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -61.9 -30.94 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -137.36 33.29 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.8 tpp -97.22 101.2 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 151.07 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.63 4.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -45.39 86.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.3 -11.48 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 15.7 tp -89.66 -35.41 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.26 -15.73 57.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -26.14 21.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 148.9 5.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -117.67 178.0 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -51.52 -38.98 56.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -59.48 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.89 -27.92 46.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.0 m-85 -81.74 -36.74 28.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.09 -18.19 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.99 2.04 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.47 -39.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.501 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.1 156.17 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.77 164.96 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -57.73 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.33 -51.64 33.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.689 ' H ' HG23 ' A' ' 74' ' ' THR . 79.7 m-20 -64.75 -36.95 85.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.9 m -57.03 -39.79 75.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.63 -39.46 88.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.1 t -64.67 -57.85 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -53.27 -56.41 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.09 -48.35 64.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 t -60.28 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -59.57 -57.98 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -26.78 62.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -45.06 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -74.1 -54.77 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -51.69 -33.15 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -72.76 -36.14 67.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -102.78 30.24 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -39.74 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -122.1 39.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 166.3 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.09 48.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t -82.25 153.88 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m 55.22 42.52 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.69 158.98 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 -32.4 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.35 -162.92 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.93 94.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -123.11 143.58 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.47 169.29 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.77 23.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 143.93 52.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -112.28 -30.9 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HE2' HG13 ' A' ' 18' ' ' VAL . 2.9 ttt -80.38 136.7 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.9 m -78.98 110.44 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 95.43 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -63.51 -26.07 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -130.52 -74.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -179.22 35.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.54 -170.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG13 ' HE2' ' A' ' 11' ' ' MET . 15.6 t -101.42 151.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.2 mt -122.17 87.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.713 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.8 m -135.31 154.92 78.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 171.98 13.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.24 -76.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 141.09 96.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -30.47 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 62' ' ' CYS . 60.8 p -58.88 -20.67 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.24 5.28 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -85.43 126.3 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -77.93 -174.5 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -17.14 62.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.17 -44.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.713 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.6 m170 -51.36 -52.61 44.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 73.6 t -50.02 -31.15 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -80.51 -40.79 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.84 -52.33 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -55.42 -37.39 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.69 -60.5 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.727 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.8 mt-10 -54.02 -27.49 32.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.488 ' CG ' HG21 ' A' ' 18' ' ' VAL . 34.5 t90 -71.58 -61.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.28 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -70.97 -48.3 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.45 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.35 -53.27 5.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.494 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.6 m-85 -88.86 8.49 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.57 44.61 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' OD1' ' A' ' 77' ' ' ASN . 46.8 mt -71.54 138.2 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 mtt -130.17 160.62 33.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.66 37.44 10.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.0 tt -109.19 136.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -95.66 90.11 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -64.93 -26.51 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -25.85 67.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.4 t80 -65.48 -23.84 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.7 22.08 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -64.97 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -134.14 32.84 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.506 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.9 tpp -99.96 100.45 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 150.88 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.39 3.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.39 85.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -75.8 -11.55 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 17.7 tp -89.54 -36.3 15.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -78.11 -16.08 58.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -89.43 -26.95 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -51.85 150.82 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.41 177.27 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -51.48 -35.64 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -60.01 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.42 -27.96 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.62 -36.52 37.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.15 -18.29 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -83.32 2.47 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.62 -39.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.499 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.39 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.69 165.13 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -57.9 -51.47 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.34 -52.1 30.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.662 ' H ' HG23 ' A' ' 74' ' ' THR . 80.9 m-20 -65.36 -36.22 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.2 m -57.63 -36.35 71.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.05 -39.22 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 43' ' ' TYR . 80.7 t -65.07 -58.92 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.46 -55.89 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -53.68 -47.61 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -59.93 -44.35 94.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -64.68 -60.14 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.593 HD23 ' HD3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -55.65 -32.93 63.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -47.54 64.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.72 -53.66 25.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.15 -25.81 34.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HD3' HD23 ' A' ' 85' ' ' LEU . 9.3 mtp85 -79.09 -28.96 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -101.11 26.49 6.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.34 133.01 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -154.44 -69.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 118.86 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.93 180.0 31.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 172.59 12.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -64.13 -37.34 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.7 m 58.81 62.02 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t -130.72 159.54 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 p -118.52 177.88 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 150.36 35.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.65 -60.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -135.61 135.33 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.29 -177.85 48.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.75 23.52 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 120.82 7.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.33 -32.22 73.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 124.71 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.67 133.34 34.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 t -167.59 166.74 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -65.27 -60.52 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.43 159.42 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.35 97.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -115.5 157.51 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.609 HG12 HG13 ' A' ' 20' ' ' VAL . 99.5 t -109.8 142.65 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.2 86.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.609 HG13 HG12 ' A' ' 18' ' ' VAL . 31.6 m -124.87 153.61 70.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.17 4.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.93 -76.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 137.66 86.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 53.0 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 62' ' ' CYS . 30.7 p -58.86 -20.72 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -84.54 3.62 35.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -82.9 129.77 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 p -80.68 -175.67 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -16.88 62.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.98 -41.4 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.609 ' CD2' HG12 ' A' ' 20' ' ' VAL . 20.2 m170 -56.61 -51.44 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.06 HG13 HD22 ' A' ' 61' ' ' LEU . 95.8 t -50.34 -31.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -76.96 -51.97 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -57.53 -48.78 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -55.12 -34.11 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 50' ' ' THR . 4.7 tp -65.41 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.0 mt-10 -54.17 -27.68 35.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' HB2' HG21 ' A' ' 18' ' ' VAL . 35.5 t90 -69.9 -62.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.28 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.6 mt -71.66 -49.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -17.57 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.05 -54.74 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.96 8.6 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m 51.52 66.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.621 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.4 mt -98.71 151.15 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -144.12 167.4 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.46 29.89 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -103.5 136.79 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -96.55 89.58 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 36' ' ' LEU . 70.8 p -64.19 -24.68 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -25.36 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -68.8 -24.11 64.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.54 18.38 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.33 -25.68 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -139.42 31.43 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -98.51 99.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 150.7 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -46.04 -33.6 5.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -66.34 -43.62 85.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -78.36 -11.32 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.06 HD22 HG13 ' A' ' 32' ' ' VAL . 12.4 tp -89.11 -33.5 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.4 p -81.34 -14.33 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -91.26 -27.19 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmm -51.98 148.76 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.39 178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' HD11 ' A' ' 82' ' ' LEU . 5.7 tptm -51.77 -38.1 54.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -62.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.03 -29.57 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' A' ' 78' ' ' THR . 4.3 m-85 -77.36 -35.2 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.9 mt -69.92 -18.61 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -84.05 3.18 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.57 -39.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.28 156.73 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 7.7 t -62.22 159.47 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HA ' HD21 ' A' ' 70' ' ' LEU . 26.2 tp -52.08 -51.53 57.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.52 -54.73 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 92.0 m-20 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' HB3' ' A' ' 69' ' ' PHE . 95.9 m -63.41 -28.03 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.47 -33.82 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.9 -58.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.44 -58.53 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 66' ' ' LYS . 19.7 mt -52.47 -44.91 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -60.95 -46.58 90.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -58.11 -57.02 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -25.17 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -40.21 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -79.92 -54.37 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.39 -27.82 26.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG3' ' HG3' ' A' ' 24' ' ' PRO . 36.1 mtp180 -72.24 -34.32 68.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -102.77 32.43 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -124.97 178.61 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t 61.41 59.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -146.85 34.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.59 171.93 38.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 159.05 54.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 -64.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 m -69.78 175.4 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -135.27 -65.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.28 135.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -167.39 27.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -112.38 61.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -121.66 145.7 47.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.67 71.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.12 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.378 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 62.14 171.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.538 ' CE ' HG22 ' A' ' 18' ' ' VAL . 17.7 ptp -99.92 145.75 27.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -73.41 129.71 38.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -164.92 172.42 12.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.33 -67.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -94.71 -73.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -173.45 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 164.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG22 ' CE ' ' A' ' 11' ' ' MET . 21.4 t -86.8 150.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -127.73 86.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 31' ' ' HIS . 7.4 m -132.15 154.72 81.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.165 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 151.97 69.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.21 -68.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 109.35 1.36 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.88 33.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -20.96 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.77 -6.42 58.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -58.7 131.92 52.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -78.71 179.88 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -18.98 60.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -93.87 -44.06 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.524 ' CD2' HG12 ' A' ' 20' ' ' VAL . 22.6 m170 -51.98 -50.83 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.104 HG13 HD22 ' A' ' 61' ' ' LEU . 78.7 t -51.21 -35.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -73.71 -52.89 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.44 -49.41 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -58.5 -37.64 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -61.81 -59.11 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.696 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -55.44 -25.92 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.481 ' CG ' HG21 ' A' ' 18' ' ' VAL . 31.7 t90 -73.39 -58.92 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.02 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.5 mt -73.37 -58.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -11.57 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.81 -52.15 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 12.14 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m 51.65 52.17 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mt -85.76 146.72 26.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -141.32 167.02 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.4 28.35 15.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 tt -101.94 136.33 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.76 87.25 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 p -61.94 -22.61 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -26.06 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 t80 -67.63 -24.27 65.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -113.22 19.6 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -136.13 25.72 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.521 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -88.82 100.97 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.52 150.23 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 -37.48 6.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -63.28 -43.5 97.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.5 -12.93 60.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.104 HD22 HG13 ' A' ' 32' ' ' VAL . 18.6 tp -88.66 -31.05 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.4 m -84.38 -13.08 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.7 -28.04 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.9 mmm -51.93 152.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.93 176.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HA ' HD11 ' A' ' 82' ' ' LEU . 4.7 tptm -51.77 -37.08 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.5 -32.68 65.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 78' ' ' THR . 2.9 m-85 -72.33 -34.09 67.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.3 -19.44 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -84.14 3.02 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.41 -39.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -129.49 156.81 43.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.18 159.42 14.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.97 -51.41 57.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -49.56 -54.97 15.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.661 ' H ' HG23 ' A' ' 74' ' ' THR . 92.3 m-20 -63.78 -32.94 74.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 69' ' ' PHE . 94.4 m -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 -34.58 47.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.13 -57.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.04 -57.65 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 HG22 ' A' ' 78' ' ' THR . 24.8 mt -52.37 -48.22 65.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -59.36 -46.31 88.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -59.8 -55.18 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -25.81 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -44.46 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -73.88 -54.75 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.77 -34.58 40.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -69.47 -36.0 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -104.03 29.35 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.67 -67.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -53.43 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -58.39 121.63 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.94 172.62 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.04 54.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.96 117.28 16.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 p -77.44 75.16 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.1 118.65 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.835 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -99.55 44.84 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.06 22.97 28.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 62.9 174.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -98.97 27.71 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.86 71.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.73 23.59 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.14 66.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.395 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -80.19 63.14 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.96 128.98 33.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -114.25 111.59 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.63 -48.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.52 27.28 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -174.82 123.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.9 31.33 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -66.19 153.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.622 HG12 HG13 ' A' ' 20' ' ' VAL . 99.4 t -106.1 144.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mt -113.07 86.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.622 HG13 HG12 ' A' ' 18' ' ' VAL . 29.1 m -123.56 153.14 66.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.627 0.727 . . . . 0.0 111.179 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 2.285 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 108.98 1.17 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -15.4 37.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.71 -22.89 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.07 -6.9 58.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -57.36 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -80.3 178.93 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -17.39 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.36 -38.89 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CD2' HG12 ' A' ' 20' ' ' VAL . 25.2 m170 -57.91 -51.92 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.083 HG13 HD22 ' A' ' 61' ' ' LEU . 84.6 t -51.37 -31.62 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -75.54 -56.52 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.03 -44.51 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -58.25 -40.39 81.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.62 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 mt-10 -52.09 -29.53 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -71.6 -61.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -31.35 20.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.8 mt -68.05 -45.8 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -16.44 57.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -43.71 11.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -102.95 10.23 38.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m 51.39 49.83 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -76.93 136.5 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.9 mtt -129.89 161.84 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.52 37.2 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 73' ' ' THR . 6.5 tt -111.17 136.03 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.15 97.89 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -70.41 -24.88 63.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -26.02 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.0 t80 -65.5 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -113.41 23.61 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -69.56 -25.12 63.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -138.21 33.2 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.497 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.1 tpp -99.79 99.67 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.57 150.44 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.14 -36.84 4.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.731 0.301 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.083 HD22 HG13 ' A' ' 32' ' ' VAL . 65.5 tp -88.02 -28.63 21.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.1 m -87.62 -14.67 39.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -90.04 -29.03 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 mmm -52.16 158.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.18 178.43 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tttm -51.86 -38.4 55.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -60.28 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.63 -31.33 57.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.517 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.9 m-85 -79.67 -34.32 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -68.9 -17.42 63.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -83.06 2.01 37.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.32 -39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -122.15 155.97 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.0 t -63.07 165.62 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.7 tp -57.9 -52.8 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -49.45 -51.13 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.693 ' H ' HG23 ' A' ' 74' ' ' THR . 77.7 m-20 -64.0 -36.64 84.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.608 HG21 ' HG3' ' A' ' 66' ' ' LYS . 89.6 m -57.81 -41.69 82.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.37 87.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -68.09 -54.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.04 -54.95 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.8 mm? -54.92 -45.47 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 t -62.89 -46.23 88.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -59.99 -56.88 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD23 ' CD ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.15 -25.66 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -44.21 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -75.07 -54.17 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -51.9 -36.51 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.614 ' CD ' HD23 ' A' ' 85' ' ' LEU . 53.8 mtp180 -70.54 -35.34 73.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.16 31.26 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -144.76 90.57 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -146.51 -48.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m -67.84 -40.45 83.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.2 169.02 41.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 154.16 68.02 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -38.67 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.08 100.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -96.48 164.78 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -93.3 93.34 8.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.39 155.2 21.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -144.67 135.33 24.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.41 100.33 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.44 71.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.545 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.74 23.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.386 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.91 -36.86 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.46 137.16 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -117.11 128.23 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.7 t 179.85 144.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -52.46 -36.16 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 13' ' ' THR . 1.1 tp10 -95.82 -172.27 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.12 67.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -163.27 -178.61 6.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.591 HG13 HG22 ' A' ' 20' ' ' VAL . 13.1 p -101.63 150.3 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 mt -106.12 63.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.8 m -109.57 154.89 42.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -76.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.47 141.79 97.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 54.4 Cg_endo -69.67 -30.48 22.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -58.95 -20.0 48.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -88.61 8.85 26.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -87.87 126.67 35.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -78.81 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -17.11 60.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -95.77 -43.22 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.719 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.8 m170 -53.82 -52.16 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.984 HG13 HD22 ' A' ' 61' ' ' LEU . 77.6 t -50.2 -31.01 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -79.7 -45.56 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -54.17 -35.74 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 53' ' ' PHE . 4.6 tp -62.15 -62.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 40' ' ' ILE . 9.3 mt-10 -54.61 -26.87 35.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.77 -63.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.07 -30.47 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.2 mt -69.95 -48.93 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -18.6 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.84 -54.64 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -89.56 8.3 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m 51.67 58.4 5.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.594 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -88.1 151.96 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -144.22 166.98 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.47 29.92 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.549 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.9 tt -104.09 136.62 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.03 91.87 6.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.5 p -65.29 -27.2 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -25.1 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -66.3 -22.84 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' HD21 ' A' ' 36' ' ' LEU . 25.3 m-85 -115.73 21.38 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -143.3 35.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -101.83 100.08 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 150.95 25.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.34 -34.06 4.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -44.75 89.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -78.23 -11.26 59.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.984 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.61 -35.33 15.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.3 p -78.1 -16.7 57.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -25.27 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 151.19 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 177.64 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.44 -36.52 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -59.83 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.5 -27.5 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.6 m-85 -81.57 -36.21 29.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.8 mt -69.37 -18.77 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.58 1.42 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.19 -39.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.549 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -122.99 156.26 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.78 166.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -58.15 -51.44 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -49.5 -51.21 37.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 93.2 m-20 -66.41 -35.3 79.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.7 m -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.02 -38.3 57.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.55 -57.91 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -51.86 -54.79 25.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -55.15 -45.7 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -43.91 98.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -63.96 -60.11 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -32.83 64.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -45.2 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.08 -55.02 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.61 -29.2 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HG3' ' HG3' ' A' ' 24' ' ' PRO . 48.7 mtp180 -78.69 -33.21 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -100.04 35.28 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.37 112.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 p -120.05 -34.08 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -52.04 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.28 168.86 3.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.32 -178.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.2 t -165.97 96.5 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.59 118.95 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -92.37 -30.47 15.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.49 146.03 15.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -94.17 177.21 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.39 -176.57 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 75.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 101.73 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.76 131.45 43.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.6 p -118.24 112.04 19.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -139.02 44.21 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 57.44 26.39 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -169.37 148.93 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -26.28 67.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.32 156.19 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 20' ' ' VAL . 14.4 p -70.79 149.74 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -105.61 63.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.706 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.5 m -109.33 154.93 41.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.722 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.04 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -76.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.55 141.82 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.05 28.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.571 HG22 ' SG ' ' A' ' 62' ' ' CYS . 78.4 p -61.32 -18.53 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 23' ' ' ASP . 5.1 mp -94.82 17.22 14.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -93.22 122.14 35.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -71.86 -178.89 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -17.66 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -95.71 -43.61 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.706 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.2 m170 -51.45 -53.22 39.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 61' ' ' LEU . 73.0 t -50.19 -30.63 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -79.99 -45.65 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -61.74 -49.91 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.416 ' CH2' HD22 ' A' ' 81' ' ' LEU . 57.4 t90 -55.62 -36.59 67.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.17 -62.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.6 mt-10 -54.98 -26.49 37.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -69.82 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.14 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.0 mt -71.61 -47.41 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -18.07 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.58 -55.72 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -88.52 7.99 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.0 m 51.66 65.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.5 mt -95.57 151.52 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.2 mtt -143.54 166.03 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.37 31.52 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.5 tt -106.42 136.02 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.54 88.83 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -63.11 -27.3 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -35.87 71.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.55 -27.04 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -111.59 25.61 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -21.97 66.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.22 29.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.529 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -94.21 97.94 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.46 150.91 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.15 -35.88 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.436 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -47.05 86.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.97 -12.26 59.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.982 HD22 HG13 ' A' ' 32' ' ' VAL . 14.8 tp -88.96 -35.88 16.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.571 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -77.7 -16.81 58.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -22.97 22.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -51.93 154.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.19 178.4 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -51.55 -44.57 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.77 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.56 -33.14 59.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 5.3 m-85 -78.08 -36.21 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.4 mt -69.23 -18.4 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.32 1.13 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.64 -39.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.542 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -121.94 156.19 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.88 166.71 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.612 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.5 tp -58.5 -51.52 69.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -49.34 -50.88 37.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 91.0 m-20 -66.7 -35.83 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.9 m -57.62 -31.54 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.44 -39.1 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.31 -57.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CH2' ' A' ' 35' ' ' TRP . 74.0 mt -51.65 -54.24 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.57 -45.08 77.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -62.14 -43.66 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -64.28 -59.86 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -32.33 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -43.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.68 -54.9 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.63 -28.82 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -78.08 -33.95 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -95.99 32.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.89 -176.68 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t 60.3 45.42 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -60.32 -32.44 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.52 171.59 45.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -38.92 7.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m 57.03 55.49 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.36 159.4 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.12 -176.98 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.66 153.59 45.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.48 -129.96 9.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.89 -43.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -110.64 -48.11 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.56 169.38 15.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.68 23.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 114.11 3.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -94.58 -55.16 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.0 ptp -67.07 142.67 57.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -101.67 119.07 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 118.39 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.02 -57.76 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -119.34 148.52 43.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 52.73 81.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -111.7 114.04 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 20' ' ' VAL . 99.0 t -71.79 144.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -115.47 87.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 HG12 ' A' ' 18' ' ' VAL . 33.2 m -119.49 152.65 53.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.9 58.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.63 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.71 109.5 1.42 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.6 24.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.485 HG22 ' SG ' ' A' ' 62' ' ' CYS . 9.5 p -82.32 -24.14 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.62 -1.05 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -65.6 129.14 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 p -77.83 177.83 7.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -18.0 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.46 -39.22 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -56.95 -52.83 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.032 HG13 HD22 ' A' ' 61' ' ' LEU . 72.8 t -50.7 -33.52 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.8 -47.44 59.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -55.01 -39.6 69.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.38 -62.46 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.753 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -53.22 -28.64 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -69.53 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.92 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.5 mt -70.14 -48.12 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -17.28 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -51.85 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -92.94 8.53 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.0 m 51.57 71.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.8 mt -104.18 152.59 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtt -144.4 167.92 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 63.48 29.31 15.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.493 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -101.77 140.65 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.8 89.1 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.1 p -63.95 -30.22 71.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -27.78 53.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.0 t80 -67.46 -24.66 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.51 23.53 13.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.91 -32.82 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -132.65 35.08 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.484 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.1 tpp -98.0 100.21 11.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.76 150.69 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.69 -34.6 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.02 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.23 -11.28 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.032 HD22 HG13 ' A' ' 32' ' ' VAL . 25.4 tp -89.25 -33.66 16.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.485 ' SG ' HG22 ' A' ' 25' ' ' THR . 19.3 p -81.23 -15.65 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -89.09 -29.34 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.0 150.98 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -120.38 178.28 4.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tptt -51.83 -40.14 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -58.12 6.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.93 -30.16 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.526 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.55 -34.25 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -68.97 -18.01 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -82.94 1.86 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.4 -39.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.493 ' OG1' HD12 ' A' ' 48' ' ' ILE . 7.0 t -123.17 156.14 35.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.8 t -62.81 165.14 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HA ' HD21 ' A' ' 70' ' ' LEU . 29.0 tp -57.79 -51.75 68.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -49.46 -51.91 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.677 ' H ' HG23 ' A' ' 74' ' ' THR . 87.3 m-20 -65.08 -36.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.0 m -57.29 -40.63 78.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.36 -38.19 87.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.3 -55.62 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.3 -55.61 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -54.11 -47.44 71.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -61.29 -45.7 93.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.68 -57.86 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -57.59 -32.37 67.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.56 -30.48 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -89.19 -50.06 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -53.77 -39.82 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.614 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -63.74 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -105.68 26.78 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.48 -42.98 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.64 -57.54 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.57 157.07 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.88 70.93 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 123.49 10.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -81.08 149.03 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -84.68 174.2 10.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.32 90.88 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -108.54 175.73 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.1 111.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t 61.55 38.47 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -143.36 172.98 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.78 178.88 27.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.75 23.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 158.77 55.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -67.53 -49.87 61.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.24 124.41 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -93.46 141.83 28.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.99 169.2 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.92 -45.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -167.77 -48.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -135.0 53.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -116.48 142.53 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG12 HG13 ' A' ' 20' ' ' VAL . 99.0 t -81.78 144.17 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.92 87.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 30.6 m -119.97 153.35 55.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 152.88 69.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -51.59 109.37 1.36 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.4 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.482 HG22 ' SG ' ' A' ' 62' ' ' CYS . 10.0 p -82.66 -24.97 33.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 -1.16 57.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -65.59 127.86 33.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.9 p -76.07 178.56 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -18.29 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -94.87 -43.26 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.6 m170 -51.69 -52.48 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 78.5 t -50.67 -30.91 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -75.71 -55.81 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.02 -44.37 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -57.93 -40.53 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 50' ' ' THR . 3.3 tp -60.8 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 40' ' ' ILE . 14.1 mt-10 -52.31 -29.3 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -71.51 -61.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.3 -30.7 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.0 -48.87 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -73.61 -19.01 60.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.74 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.31 7.55 31.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 m 51.65 67.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 ' OD1' ' A' ' 77' ' ' ASN . 45.8 mt -99.33 152.8 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 mtt -144.28 166.83 23.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.24 30.64 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.7 tt -104.27 136.18 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.52 88.62 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.466 HG22 HD23 ' A' ' 36' ' ' LEU . 62.9 p -64.6 -23.86 67.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -25.68 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 15.7 t80 -69.81 -25.24 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.93 11.63 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.24 -26.83 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.61 39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.49 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -108.85 100.26 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.68 150.57 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.83 -34.01 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -44.08 87.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -77.81 -11.87 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 14.9 tp -88.76 -35.37 16.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -78.74 -15.59 58.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -90.99 -26.12 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.5 mmm -51.85 149.18 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.08 -179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD11 ' A' ' 82' ' ' LEU . 3.2 tptm -51.78 -39.12 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.93 -58.88 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.63 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.58 ' HB3' HG23 ' A' ' 78' ' ' THR . 5.1 m-85 -83.41 -33.94 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.9 -18.4 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -84.16 3.11 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.67 -39.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -127.4 156.89 41.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.2 t -62.08 158.92 15.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CA ' HD21 ' A' ' 70' ' ' LEU . 32.6 tp -51.75 -50.04 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.81 -55.51 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.69 ' OD1' HD22 ' A' ' 45' ' ' LEU . 97.0 m-20 -64.78 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.58 HG23 ' HB3' ' A' ' 69' ' ' PHE . 96.2 m -63.16 -27.08 69.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.15 -34.73 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.48 -58.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -51.5 -58.0 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 66' ' ' LYS . 17.0 mt -52.53 -47.17 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 t -59.48 -46.25 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -58.3 -55.76 30.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -59.52 -31.84 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -87.74 -50.26 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.71 -48.53 72.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -51.96 -31.35 28.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -102.42 37.82 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.72 -178.55 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.81 28.76 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 115.04 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 168.59 11.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.07 46.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.5 t -54.01 109.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.9 m -125.06 170.8 10.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -119.42 165.07 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -143.57 142.63 31.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 95.67 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.12 168.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.18 168.4 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.69 174.58 17.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.72 23.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.39 14.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.383 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.43 -33.67 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.497 ' HE2' HG22 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -55.78 140.02 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.04 110.31 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -175.63 174.1 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.555 ' HB2' HD11 ' A' ' 19' ' ' ILE . 3.3 m-20 -51.97 148.82 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.93 75.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.34 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.39 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG22 ' HE2' ' A' ' 11' ' ' MET . 17.0 t -62.7 151.56 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 14' ' ' ASN . 28.6 mt -123.44 87.37 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m -133.86 154.75 80.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.096 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.77 67.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.57 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.87 111.72 3.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.55 36.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -18.58 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.02 -7.82 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -58.13 132.76 54.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -80.57 -179.43 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -17.53 59.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.56 -42.4 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 20' ' ' VAL . 21.3 m170 -53.5 -52.19 60.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 79.0 t -50.92 -34.83 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -73.77 -52.91 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -53.5 -50.52 65.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -56.71 -36.37 69.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.9 tp -62.61 -59.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt-10 -55.39 -26.2 40.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CG ' HG21 ' A' ' 18' ' ' VAL . 31.9 t90 -71.74 -59.4 2.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.02 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.9 mt -73.06 -59.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -12.08 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -93.7 -51.08 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.451 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.5 m-85 -91.35 12.33 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m 51.52 52.34 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.6 mt -87.09 149.35 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtt -144.32 166.67 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 63.33 26.3 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.454 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -98.54 136.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -92.81 94.1 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.5 p -70.84 -25.29 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -25.77 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.2 -24.35 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -111.61 21.63 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.43 -25.91 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -137.53 39.15 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 tpp -106.37 99.12 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.36 150.29 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.37 -37.01 3.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.0 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.36 -11.03 60.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 54.7 tp -87.65 -28.16 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.82 -15.72 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -89.61 -29.72 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -52.05 149.81 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.0 178.58 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.579 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.1 tptt -51.61 -37.35 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.77 -59.46 3.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -54.95 -28.0 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' THR . 2.5 m-85 -83.86 -32.06 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.9 mt -69.39 -18.65 63.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -83.14 1.96 37.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.82 -39.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -124.41 156.19 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.76 165.74 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.8 tp -57.8 -52.14 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -49.49 -52.17 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 80.7 m-20 -63.87 -36.77 85.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.579 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.9 m -58.19 -40.72 82.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.2 t -66.41 -55.09 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.51 -55.21 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.32 -47.82 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -61.17 -45.7 93.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.68 -56.78 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -35.13 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -51.86 -30.91 25.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -54.27 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.3 -27.44 35.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -71.36 -36.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -97.43 26.77 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -111.5 59.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -174.97 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.6 m -118.99 150.09 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.55 -168.47 30.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.4 p -150.88 58.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.23 112.29 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.88 107.18 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -170.51 -57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 -160.75 33.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -101.2 -59.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.31 -40.01 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.66 166.97 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.72 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.4 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.19 34.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -88.75 174.27 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.45 ' HE1' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -78.57 127.55 32.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -86.65 110.4 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.8 t -116.92 -25.04 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 63.22 26.16 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' H ' HG23 ' A' ' 13' ' ' THR . 3.2 mt-10 -162.23 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.71 151.68 46.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG22 HG13 ' A' ' 20' ' ' VAL . 14.5 p -57.23 149.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 mt -108.74 63.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m -110.12 154.61 42.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.73 68.56 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -67.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' HB2' HD12 ' A' ' 26' ' ' LEU . 23.5 m-20 -50.68 108.79 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.703 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.3 Cg_endo -69.8 -16.0 37.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.63 -23.03 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' A' ' 23' ' ' ASP . 81.6 mt -85.74 -6.89 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -57.83 134.01 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 p -81.87 179.51 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -17.6 58.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -95.42 -39.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.4 m170 -57.36 -51.25 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.054 HG13 HD22 ' A' ' 61' ' ' LEU . 86.9 t -51.22 -31.26 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.62 -55.63 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -52.02 -45.15 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -58.19 -38.84 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.46 -60.69 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 40' ' ' ILE . 10.1 mt-10 -53.94 -27.39 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.05 -62.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.96 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -69.61 -48.28 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -19.37 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -55.45 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.7 m-85 -88.46 7.87 30.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.75 57.32 6.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -86.62 152.27 22.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 mtt -143.89 166.28 25.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.35 30.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.4 tt -105.37 136.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.45 94.96 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -68.46 -24.04 64.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -26.22 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -66.19 -25.53 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -112.78 23.7 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -68.21 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.15 34.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -101.23 100.38 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 150.44 27.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.01 6.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -63.04 -43.92 97.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -77.16 -11.76 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.054 HD22 HG13 ' A' ' 32' ' ' VAL . 61.7 tp -87.81 -27.59 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.4 m -88.84 -13.3 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -26.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.1 mmm -52.96 160.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.62 177.79 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.2 tptt -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.91 -59.59 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.24 -34.87 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.502 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.3 m-85 -77.04 -32.41 56.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.7 mt -69.56 -19.21 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -83.06 1.88 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -131.83 -39.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -123.95 156.23 36.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.2 t -62.7 165.9 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.578 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.6 tp -57.82 -51.49 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -49.61 -51.27 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.651 ' H ' HG23 ' A' ' 74' ' ' THR . 94.0 m-20 -66.33 -34.85 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.586 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.4 m -59.26 -31.03 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.51 -37.45 56.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 43' ' ' TYR . 93.7 t -67.94 -55.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.64 -55.11 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.34 -45.75 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -62.14 -45.53 93.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -61.6 -57.84 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.21 -34.48 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -35.15 46.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -81.9 -55.3 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.08 -31.57 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.568 ' HD2' HD23 ' A' ' 85' ' ' LEU . 61.6 mtp180 -73.37 -35.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -96.06 36.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.72 -173.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t 59.39 83.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 t 55.98 85.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.1 -167.66 12.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 147.98 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.0 m -109.99 46.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -149.62 31.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.84 137.17 34.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.36 54.42 6.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -67.69 -34.03 76.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t 61.06 31.28 19.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.63 170.75 32.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.66 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -178.29 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.81 118.07 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.04 116.1 32.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -172.09 171.82 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.99 -173.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.06 177.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 60.1 26.83 16.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -73.54 166.83 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 20' ' ' VAL . 99.1 t -113.68 144.25 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mt -115.85 87.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.688 HG13 HG12 ' A' ' 18' ' ' VAL . 34.7 m -118.81 152.89 52.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 153.59 68.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.74 -67.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.55 109.31 1.33 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 62' ' ' CYS . 12.8 p -82.29 -24.29 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.9 mt -87.13 -1.36 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -65.19 126.58 28.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -74.54 177.46 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -18.88 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.93 -43.27 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.5 m170 -51.64 -51.88 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.986 HG13 HD22 ' A' ' 61' ' ' LEU . 69.2 t -51.21 -30.01 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -77.38 -52.72 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -53.37 -47.83 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.444 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.3 t90 -56.28 -39.88 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 53' ' ' PHE . 3.2 tp -60.32 -61.49 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' ILE . 24.9 mt-10 -53.93 -27.37 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -72.61 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.41 -30.56 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -69.97 -48.09 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -19.04 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 -55.29 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.9 m-85 -88.55 7.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t 51.92 57.15 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.0 mt -86.68 151.49 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.1 mtt -144.43 165.21 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 63.32 32.02 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' OG1' ' A' ' 73' ' ' THR . 7.4 tt -106.87 135.87 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -94.01 86.47 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -62.26 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -35.26 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.37 -26.16 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' CD1' HD21 ' A' ' 36' ' ' LEU . 21.9 m-85 -112.48 24.32 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -23.5 67.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.91 25.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.6 tpp -88.39 101.42 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.44 150.87 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.35 -35.64 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -46.39 85.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -75.63 -10.86 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.986 HD22 HG13 ' A' ' 32' ' ' VAL . 20.1 tp -90.4 -33.01 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -83.05 -13.9 54.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -32.31 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.29 145.62 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' ND2' ' H ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -115.73 -177.15 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HG3' HG21 ' A' ' 78' ' ' THR . 3.6 tptm -51.06 -44.78 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.09 -62.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.407 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 23.0 m-20 -51.76 -37.65 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.4 m-85 -71.91 -33.18 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.53 -18.76 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -83.15 1.99 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.52 -39.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' PHE . 6.3 t -123.91 156.42 36.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.69 165.47 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 24.2 tp -57.33 -51.18 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -49.46 -52.21 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.643 ' H ' HG23 ' A' ' 74' ' ' THR . 92.7 m-20 -65.79 -34.97 79.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.561 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.7 m -59.19 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.91 -37.54 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' CD2' ' A' ' 43' ' ' TYR . 83.1 t -67.17 -56.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' CH2' ' A' ' 35' ' ' TRP . 78.1 mt -53.42 -54.9 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.67 -45.95 73.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 t -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -64.46 -58.38 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -57.37 -34.68 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -51.62 -30.17 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -88.89 -50.31 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.61 -47.51 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.525 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -53.08 -31.11 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -88.83 -23.37 22.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -93.68 118.21 31.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.6 p -126.17 -47.56 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t 52.32 30.89 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.31 -75.42 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.449 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 163.14 39.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -70.63 -38.26 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.05 179.69 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m 60.86 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 58.58 91.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.83 113.43 0.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -66.37 141.73 57.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 130.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.2 75.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.41 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.55 96.6 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 137.55 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -112.78 114.38 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -173.07 171.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.06 -63.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.51 158.06 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 58.01 89.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.84 23.73 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 HG13 ' A' ' 20' ' ' VAL . 22.1 t 64.88 150.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mt -126.91 87.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 31' ' ' HIS . 35.9 m -118.38 153.05 51.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.65 59.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.76 -67.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 123.46 61.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.4 p -61.85 -17.39 56.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.2 3.5 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -77.5 132.42 38.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -80.57 -179.46 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.58 57.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.47 -43.25 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.635 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.89 -51.5 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 HD22 ' A' ' 61' ' ' LEU . 75.0 t -51.1 -29.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -78.24 -54.88 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -53.49 -45.95 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -56.68 -39.47 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.71 -60.73 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.5 mt-10 -51.97 -29.58 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.455 ' HB2' HG21 ' A' ' 18' ' ' VAL . 34.8 t90 -70.43 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.25 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.4 mt -70.45 -47.8 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -18.33 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -51.0 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-85 -91.63 9.42 32.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m 51.66 47.72 24.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.574 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.4 mt -78.4 151.14 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 mtt -144.34 166.97 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.42 30.8 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.531 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.6 tt -101.67 151.29 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.01 90.12 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -67.06 -26.99 67.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -25.26 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.453 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.9 t80 -66.35 -24.87 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -113.86 20.46 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.52 -30.7 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -135.68 43.78 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -109.41 103.1 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 150.75 26.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.95 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -45.92 83.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.65 -11.23 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.922 HD22 HG13 ' A' ' 32' ' ' VAL . 27.2 tp -89.39 -36.72 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -78.39 -17.14 56.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.26 -28.12 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -53.94 139.19 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -106.31 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.63 ' HG3' HG21 ' A' ' 78' ' ' THR . 5.0 tttm -51.94 -31.63 29.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.32 -52.96 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.13 -25.97 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.7 m-85 -81.25 -32.41 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.8 mt -69.28 -18.17 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.0 1.91 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.21 -39.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.531 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.15 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.98 165.73 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 70' ' ' LEU . 23.7 tp -58.06 -52.86 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.2 -50.95 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 74' ' ' THR . 77.6 m-20 -64.21 -36.96 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.63 HG21 ' HG3' ' A' ' 66' ' ' LYS . 90.6 m -57.09 -43.19 81.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.13 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 43' ' ' TYR . 97.9 t -66.7 -54.64 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.1 mt -57.48 -54.93 41.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.87 -45.81 74.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.8 t -62.72 -45.91 90.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -62.33 -56.83 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.555 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.82 -32.7 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -30.93 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -87.73 -51.96 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.35 -41.32 62.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.555 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.55 -35.04 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -98.05 38.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.7 t -132.32 147.62 52.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 m 54.63 27.43 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 t -68.84 -31.92 71.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.37 72.07 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.62 16.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 141.03 19.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.6 t -170.35 -50.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.463 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 57.54 63.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.3 157.06 26.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.95 -148.73 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -99.48 -29.14 12.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 m -119.86 -49.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.35 176.63 29.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.75 23.51 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.06 2.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -152.66 32.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.545 ' CE ' HG22 ' A' ' 18' ' ' VAL . 12.8 ttt -80.59 117.29 21.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 112.43 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 17' ' ' ARG . 1.2 m -159.01 149.19 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -30.47 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.59 175.47 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -81.63 63.56 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' O ' HG21 ' A' ' 13' ' ' THR . 0.4 OUTLIER -169.65 -172.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG22 ' CE ' ' A' ' 11' ' ' MET . 19.3 t -119.09 148.5 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.75 86.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m -134.88 155.1 79.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.147 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.54 140.34 94.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.7 19.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.1 p -58.99 -20.31 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.23 5.81 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -85.25 123.41 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 p -74.96 -177.13 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.65 -16.97 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 -42.69 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.0 m170 -53.95 -51.04 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 56' ' ' MET . 92.9 t -51.0 -30.81 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.41 -42.01 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.06 -54.44 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.407 ' CH2' HD22 ' A' ' 81' ' ' LEU . 63.9 t90 -53.18 -31.87 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.3 tp -65.04 -62.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -52.53 -28.94 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CG ' HG21 ' A' ' 18' ' ' VAL . 30.0 t90 -68.98 -59.6 2.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -26.16 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.3 mt -73.66 -53.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -4.02 43.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -98.25 -55.56 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -92.48 14.69 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 51.53 71.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD22 ' OD1' ' A' ' 77' ' ' ASN . 33.1 mt -105.13 145.2 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 mtt -139.92 166.33 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.49 27.41 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.2 tt -99.28 136.64 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.1 94.93 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 p -66.84 -24.31 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -34.38 77.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -57.41 -23.92 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' HD21 ' A' ' 36' ' ' LEU . 14.4 m-85 -115.87 22.69 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -65.04 -25.28 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -142.72 29.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.561 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -94.75 99.96 11.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.64 149.91 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.94 -34.66 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.26 -47.14 74.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -74.36 -12.19 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -90.49 -50.84 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.7 p -62.94 -19.52 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -86.76 -25.05 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 mmm -52.18 149.04 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.96 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -51.91 -47.25 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -58.68 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.05 -41.03 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 82' ' ' LEU . 1.1 m-85 -65.65 -37.99 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 75' ' ' LEU . 10.4 mt -69.32 -17.91 63.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -83.94 3.02 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.35 -39.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.5 t -124.85 156.36 37.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.66 165.78 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.1 tp -58.22 -53.42 58.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -48.94 -50.3 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.697 ' H ' HG23 ' A' ' 74' ' ' THR . 77.5 m-20 -64.21 -37.49 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 69' ' ' PHE . 63.5 m -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.34 -38.7 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.84 -54.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 ' CH2' ' A' ' 35' ' ' TRP . 37.6 mt -58.58 -53.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.1 mm? -55.66 -44.54 77.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -63.86 -45.65 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -62.06 -56.27 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.36 70.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -35.54 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -82.31 -55.47 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -52.22 -29.79 24.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mtp85 -75.01 -35.28 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -95.76 25.05 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.64 -176.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 t 63.17 36.74 11.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.6 m -95.81 75.75 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -95.65 -171.06 35.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 163.92 36.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.7 t -153.66 72.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -102.12 152.17 21.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -61.54 160.8 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.799 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 55.82 56.3 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.56 -43.32 85.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m 57.95 55.9 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -79.53 157.53 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.34 69.75 1.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 167.76 23.58 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 147.95 64.24 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -89.01 140.21 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ttt -90.56 111.31 22.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -87.63 140.29 29.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.45 HG21 ' H ' ' A' ' 17' ' ' ARG . 13.8 t -175.57 175.57 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -77.52 60.08 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.17 99.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 51.94 88.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' H ' HG21 ' A' ' 13' ' ' THR . 2.2 ttt180 -178.17 147.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 20' ' ' VAL . 14.4 p -137.8 149.64 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -108.92 63.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m -110.63 154.51 43.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 153.15 69.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 109.12 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.706 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.06 -19.6 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -91.08 -6.52 53.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -58.06 134.57 56.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 p -81.0 178.49 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -18.12 57.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -95.59 -43.08 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 24.0 m170 -51.56 -52.53 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.102 HG13 HD22 ' A' ' 61' ' ' LEU . 89.5 t -50.88 -30.21 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -76.66 -54.85 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -53.18 -46.08 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.73 -61.34 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' ILE . 5.7 mt-10 -52.76 -29.03 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -70.91 -61.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.11 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.8 -52.46 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -16.0 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.6 -52.71 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.447 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.5 m-85 -89.98 10.03 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m 51.6 54.01 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 34.9 mt -86.23 151.0 23.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 mtt -143.94 167.89 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.32 28.41 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -102.86 137.29 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.1 87.56 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.6 p -62.35 -27.43 69.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -25.81 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 6.3 t80 -67.49 -24.77 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -112.28 21.61 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -67.01 -27.5 67.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -135.84 42.78 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.3 tpp -110.23 101.86 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 150.21 28.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.55 -36.09 4.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -46.74 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.82 -11.15 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.102 HD22 HG13 ' A' ' 32' ' ' VAL . 61.8 tp -88.51 -29.7 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.61 -15.73 44.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -89.69 -28.63 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -51.88 150.27 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.6 179.55 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.6 tptt -52.12 -39.73 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.06 -59.28 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.71 -28.12 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -83.35 -33.9 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -69.25 -18.26 63.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -82.71 1.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.8 -39.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.519 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.43 156.25 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.9 165.58 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.0 tp -57.73 -52.17 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -49.48 -51.99 32.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.676 ' H ' HG23 ' A' ' 74' ' ' THR . 87.9 m-20 -63.91 -36.16 83.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.413 HG21 ' HG3' ' A' ' 66' ' ' LYS . 84.8 m -58.64 -40.21 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.34 -36.73 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 43' ' ' TYR . 90.7 t -68.92 -53.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.4 -54.68 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.9 -45.12 74.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -63.47 -46.29 86.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -60.6 -56.29 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD23 ' CD ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.88 -34.35 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -32.3 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -85.08 -54.43 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.75 -28.04 32.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.42 ' CD ' HD23 ' A' ' 85' ' ' LEU . 20.0 mtp85 -73.66 -33.1 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.87 36.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -137.44 153.1 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m 57.53 42.53 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p -83.84 -170.16 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.53 176.48 19.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.96 69.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 54.32 76.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 p -104.49 52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -102.73 61.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -132.34 131.33 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.48 156.84 33.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -168.39 92.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -91.88 129.8 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.19 168.13 5.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.248 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -81.88 168.99 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.555 ' CE ' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.01 117.82 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.21 114.24 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 t -144.14 -42.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -177.48 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -136.2 33.54 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.27 63.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -135.34 -175.31 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.555 HG22 ' CE ' ' A' ' 11' ' ' MET . 19.0 t -117.17 148.0 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mt -120.73 86.68 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.696 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.3 m -135.53 154.97 78.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 175.62 7.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -76.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 141.77 97.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.62 24.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.547 HG22 ' SG ' ' A' ' 62' ' ' CYS . 81.7 p -59.83 -19.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -91.09 12.65 19.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -90.68 123.99 34.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -75.72 -178.17 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.84 -17.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.3 -43.87 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.696 ' CD2' HG12 ' A' ' 20' ' ' VAL . 10.7 m170 -51.92 -51.8 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 56' ' ' MET . 97.6 t -50.92 -32.3 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -76.83 -40.78 46.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -67.12 -53.38 31.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -54.25 -31.79 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -65.15 -62.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -54.3 -27.43 35.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.535 ' CG ' HG21 ' A' ' 18' ' ' VAL . 36.3 t90 -70.2 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.18 -30.19 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -69.55 -46.47 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -77.05 -18.4 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.94 -45.51 10.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CD2' HG11 ' A' ' 80' ' ' VAL . 39.9 m-85 -99.37 10.19 41.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m 51.46 44.48 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.1 mt -72.07 143.52 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 mtt -137.27 161.86 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.41 35.78 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.471 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.5 tt -106.54 136.38 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.85 99.25 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.8 p -72.44 -23.58 61.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -29.86 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -62.02 -24.0 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.4 m-85 -115.66 23.25 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -65.39 -25.1 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -145.14 30.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -95.04 99.85 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.42 150.28 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.05 -35.27 3.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -48.97 70.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -87.99 -51.96 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.9 p -62.0 -22.32 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.58 1.49 48.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmm -74.18 161.42 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.85 176.31 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.73 -42.44 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -57.05 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.16 -34.13 59.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.1 m-85 -75.59 -36.81 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.4 mt -69.55 -17.8 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -83.6 2.74 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.501 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.43 -39.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 48' ' ' ILE . 5.8 t -123.74 156.39 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.78 165.5 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 47.9 tp -58.51 -49.36 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.14 -51.92 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 74' ' ' THR . 68.2 m-20 -67.96 -35.52 78.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.8 m -56.18 -32.97 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.57 -41.78 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 43' ' ' TYR . 85.8 t -62.52 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.72 -53.99 33.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.27 -44.6 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -62.86 -44.93 94.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.99 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -33.47 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -84.87 -55.59 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.49 -32.35 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -72.91 -36.86 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -99.73 29.2 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -127.03 30.31 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.35 -63.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.54 -172.82 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.03 176.76 24.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 130.65 19.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -123.39 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 p -78.59 151.47 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.79 -173.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.82 -176.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.74 169.27 31.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.12 -36.12 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.54 97.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.76 169.45 27.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.74 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.78 41.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.728 2.285 . . . . 0.0 112.393 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.39 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.9 mtp -65.77 156.88 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.5 p -91.92 111.28 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 t -161.26 158.01 26.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -97.32 32.12 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.29 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 167.6 13.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 20' ' ' VAL . 9.6 p -84.02 151.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.63 63.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 18' ' ' VAL . 11.1 m -110.26 154.69 42.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.48 69.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.34 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.67 108.77 1.1 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -17.2 37.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -21.84 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.26 -8.13 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -58.13 131.37 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -80.81 179.73 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -17.56 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 -39.86 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.0 m170 -57.25 -51.88 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.016 HG13 HD22 ' A' ' 61' ' ' LEU . 82.5 t -50.87 -30.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -77.7 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.13 -45.49 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -56.75 -39.47 74.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.34 -61.2 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.6 mt-10 -52.13 -29.51 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -70.27 -62.41 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.03 -31.23 17.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.6 mt -69.35 -49.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.34 -53.48 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.1 m-85 -89.54 9.47 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 51.57 45.52 27.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.7 mt -75.0 151.62 38.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 mtt -144.23 166.33 25.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 63.39 31.33 15.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.6 tt -103.44 142.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.54 93.42 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -68.31 -25.84 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -26.16 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.5 t80 -66.98 -25.66 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -112.21 23.63 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.74 -25.59 64.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -138.9 39.21 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.5 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.7 tpp -106.53 100.16 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 150.39 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.88 5.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.3 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.86 -11.06 60.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.016 HD22 HG13 ' A' ' 32' ' ' VAL . 65.8 tp -87.99 -29.31 20.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.4 m -85.21 -16.51 40.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -88.71 -25.31 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 mmm -56.33 148.47 18.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.24 178.94 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.2 tptt -51.86 -38.75 57.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.62 -59.99 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.38 -27.43 36.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.518 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.9 m-85 -84.0 -34.68 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.09 -18.07 63.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -82.81 1.67 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.11 -39.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.15 156.09 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.9 t -62.98 165.4 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 13.1 tp -58.11 -52.76 64.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -49.37 -50.3 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.701 ' H ' HG23 ' A' ' 74' ' ' THR . 75.5 m-20 -64.47 -36.94 85.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 66' ' ' LYS . 62.1 m -56.48 -44.26 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.41 -38.14 88.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 43' ' ' TYR . 86.6 t -66.28 -53.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.99 -55.1 39.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.22 -46.3 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.28 -46.62 85.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' ND1' HD11 ' A' ' 88' ' ' LEU . 26.3 t-80 -59.86 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.807 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -57.46 -30.4 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -33.2 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -83.19 -47.01 12.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 85' ' ' LEU . 5.0 mt -57.41 -46.85 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -58.15 -29.97 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -105.36 42.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 -176.37 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.73 27.33 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t 59.96 76.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.16 178.48 25.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -178.13 2.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 p -135.98 77.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.97 129.05 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.491 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.6 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.49 53.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -64.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 121.45 71.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.79 34.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -68.91 -18.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.2 mt -89.88 -5.1 57.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -64.68 131.45 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 p -80.86 -177.76 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.47 -17.53 59.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -95.39 -43.63 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.1 m170 -52.71 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.969 HG13 HD22 ' A' ' 61' ' ' LEU . 78.3 t -50.95 -31.0 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -80.18 -43.49 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.57 -53.13 60.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.4 t90 -56.35 -33.89 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.15 -60.24 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.8 mt-10 -56.58 -24.82 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -71.49 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -29.76 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.5 mt -70.62 -48.23 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -74.53 -19.84 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -54.38 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.8 m-85 -88.88 8.55 28.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 m 51.68 51.15 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.609 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.4 mt -80.6 150.52 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -143.23 167.8 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.37 25.69 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -101.08 136.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -96.52 87.57 4.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -62.31 -23.95 67.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -61.92 -36.03 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.69 -27.13 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -110.84 25.33 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.46 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -143.08 34.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -99.45 100.99 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 150.35 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.1 -41.05 4.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.89 82.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -72.9 -11.01 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.969 HD22 HG13 ' A' ' 32' ' ' VAL . 63.5 tp -88.12 -30.31 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.41 -17.4 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -87.27 -25.82 23.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.68 145.27 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -115.16 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG3' HG21 ' A' ' 78' ' ' THR . 0.9 OUTLIER -51.82 -41.34 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.66 -59.83 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.95 -32.24 44.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.3 m-85 -79.87 -30.96 40.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 75' ' ' LEU . 9.5 mt -69.8 -19.72 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -83.94 3.05 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.25 -38.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.0 t -125.72 156.36 39.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.65 164.05 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.2 tp -55.92 -52.06 65.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -49.41 -52.08 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.664 ' H ' HG23 ' A' ' 74' ' ' THR . 89.3 m-20 -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.509 HG21 ' HG3' ' A' ' 66' ' ' LYS . 98.2 m -61.55 -30.35 70.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -35.6 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 43' ' ' TYR . 95.7 t -70.42 -54.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.473 HD22 ' CH2' ' A' ' 35' ' ' TRP . 86.9 mt -55.06 -54.88 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.56 -46.96 73.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -44.91 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -62.61 -58.35 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -27.27 60.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -44.98 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -74.11 -54.52 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.708 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.573 0.701 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 170.95 15.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.68 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 139.74 96.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.6 23.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.532 HG22 ' SG ' ' A' ' 62' ' ' CYS . 70.5 p -59.33 -19.67 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.39 6.47 37.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -85.31 127.54 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -78.99 -175.53 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.76 -17.28 60.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.85 -44.93 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.1 m170 -51.51 -52.27 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.038 HG13 HD22 ' A' ' 61' ' ' LEU . 92.1 t -50.33 -31.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -79.37 -44.28 21.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -62.77 -52.44 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -54.68 -36.56 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.6 -60.72 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.8 mt-10 -55.22 -26.11 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -71.18 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.15 -27.01 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.6 mt -73.12 -59.38 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -12.35 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.48 -50.67 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.15 12.23 20.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 51.64 53.21 13.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.0 mt -88.61 148.92 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtt -143.19 166.21 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.34 28.43 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.1 tt -100.79 136.54 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.26 92.24 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -66.32 -30.08 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -32.85 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.445 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -58.48 -23.71 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.95 21.9 12.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.52 -29.99 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -138.08 29.69 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -92.94 101.22 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 150.76 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.28 -34.27 4.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -65.05 -44.87 87.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -77.33 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.038 HD22 HG13 ' A' ' 32' ' ' VAL . 15.3 tp -89.29 -34.68 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -79.83 -15.76 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.54 -25.17 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mmm -51.75 151.48 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -119.6 177.74 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.7 -40.48 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -58.98 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -54.26 -31.46 53.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.9 m-85 -78.83 -36.47 42.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.6 mt -69.39 -18.82 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -82.52 1.31 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.16 -39.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.535 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.45 156.33 35.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.64 165.23 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 25.1 tp -57.79 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -49.3 -52.01 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.632 ' H ' HG23 ' A' ' 74' ' ' THR . 81.1 m-20 -66.39 -35.52 80.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 98.2 m -57.83 -33.18 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.15 -39.67 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.98 -58.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.74 -56.12 15.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.65 -48.62 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -59.39 -46.7 87.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -59.5 -58.63 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -26.95 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -44.97 75.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -74.35 -54.72 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.667 0.746 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.4 12.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 139.82 96.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -29.49 23.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -59.54 -19.42 48.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.8 7.03 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.74 126.92 34.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.13 -176.0 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -17.29 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.77 -44.69 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.0 m170 -51.63 -52.33 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 61' ' ' LEU . 93.0 t -50.25 -31.24 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.04 -52.39 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.93 -35.58 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.48 -60.51 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.3 mt-10 -55.27 -26.27 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -70.12 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.02 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.5 mt -70.34 -50.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -5.3 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -99.11 -52.8 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -91.87 13.38 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 51.51 60.41 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD22 ' OD1' ' A' ' 77' ' ' ASN . 24.7 mt -93.94 149.49 21.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.7 mtt -144.13 166.66 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.13 27.56 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.533 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -99.99 136.55 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -95.01 93.56 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 p -67.22 -29.61 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -32.81 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.7 t80 -58.47 -23.63 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -117.2 22.13 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -61.21 -31.52 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.95 29.33 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.51 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.5 tpp -92.27 100.7 13.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 150.94 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.46 -35.1 3.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -46.49 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -75.78 -11.39 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.56 -35.35 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.59 -15.48 57.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -25.59 21.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.88 152.66 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.3 178.4 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.51 -40.1 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -61.08 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.97 -30.51 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.7 m-85 -79.7 -36.78 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.3 -18.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -82.76 1.59 38.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.44 -39.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.533 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.23 156.28 35.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.62 165.6 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -58.19 -51.18 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -49.45 -51.67 34.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.654 ' H ' HG23 ' A' ' 74' ' ' THR . 79.5 m-20 -65.99 -35.63 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.4 m -58.09 -34.62 70.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -39.26 67.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.38 -58.12 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -51.99 -56.24 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.61 -48.57 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -59.49 -46.63 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -59.67 -58.65 7.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -26.88 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -44.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -74.52 -54.69 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.0 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 169.61 18.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.97 139.59 95.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.14 22.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.536 HG22 ' SG ' ' A' ' 62' ' ' CYS . 75.7 p -59.08 -19.9 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.99 7.2 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -86.24 127.32 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.75 -175.33 4.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -17.28 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -44.8 7.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.53 -52.39 47.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 94.1 t -50.17 -31.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -79.22 -44.06 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.73 -52.05 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -55.19 -37.25 66.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.33 -61.55 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.6 mt-10 -53.32 -28.39 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -69.4 -62.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.45 -29.56 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -70.36 -46.96 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -75.35 -21.76 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.53 -53.53 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.3 m-85 -88.79 8.37 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m 51.63 45.95 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 49.3 mt -73.22 139.08 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 mtt -130.72 161.39 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.52 36.97 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.8 tt -108.64 136.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -96.41 91.8 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -64.66 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.15 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.1 t80 -57.93 -23.43 53.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.81 21.52 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -61.9 -30.94 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -137.36 33.29 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.8 tpp -97.22 101.2 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 151.07 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.63 4.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -45.39 86.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.3 -11.48 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 15.7 tp -89.66 -35.41 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.26 -15.73 57.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -26.14 21.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 148.9 5.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -117.67 178.0 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -51.52 -38.98 56.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -59.48 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.89 -27.92 46.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.0 m-85 -81.74 -36.74 28.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.09 -18.19 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.99 2.04 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.47 -39.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.501 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.1 156.17 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.77 164.96 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -57.73 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.33 -51.64 33.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.689 ' H ' HG23 ' A' ' 74' ' ' THR . 79.7 m-20 -64.75 -36.95 85.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.9 m -57.03 -39.79 75.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.63 -39.46 88.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.1 t -64.67 -57.85 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -53.27 -56.41 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.09 -48.35 64.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 t -60.28 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -59.57 -57.98 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -26.78 62.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -45.06 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -74.1 -54.77 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.713 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.612 0.72 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 171.98 13.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.24 -76.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 141.09 96.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -30.47 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 62' ' ' CYS . 60.8 p -58.88 -20.67 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.24 5.28 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -85.43 126.3 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -77.93 -174.5 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -17.14 62.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.17 -44.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.713 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.6 m170 -51.36 -52.61 44.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 73.6 t -50.02 -31.15 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -80.51 -40.79 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.84 -52.33 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -55.42 -37.39 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.69 -60.5 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.727 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.8 mt-10 -54.02 -27.49 32.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -71.58 -61.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.28 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -70.97 -48.3 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.45 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.35 -53.27 5.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.494 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.6 m-85 -88.86 8.49 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.57 44.61 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' OD1' ' A' ' 77' ' ' ASN . 46.8 mt -71.54 138.2 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 mtt -130.17 160.62 33.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.66 37.44 10.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.0 tt -109.19 136.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -95.66 90.11 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -64.93 -26.51 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -25.85 67.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.4 t80 -65.48 -23.84 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.7 22.08 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -64.97 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -134.14 32.84 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.506 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.9 tpp -99.96 100.45 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 150.88 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.39 3.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.39 85.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -75.8 -11.55 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 17.7 tp -89.54 -36.3 15.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -78.11 -16.08 58.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -89.43 -26.95 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -51.85 150.82 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.41 177.27 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -51.48 -35.64 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -60.01 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.42 -27.96 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.62 -36.52 37.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.15 -18.29 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -83.32 2.47 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.62 -39.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.499 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.39 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.69 165.13 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -57.9 -51.47 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.34 -52.1 30.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.662 ' H ' HG23 ' A' ' 74' ' ' THR . 80.9 m-20 -65.36 -36.22 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.2 m -57.63 -36.35 71.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.05 -39.22 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 43' ' ' TYR . 80.7 t -65.07 -58.92 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.46 -55.89 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -53.68 -47.61 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -59.93 -44.35 94.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -64.68 -60.14 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -32.93 63.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -47.54 64.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.72 -53.66 25.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.609 HG12 ' CD2' ' A' ' 31' ' ' HIS . 31.6 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.17 4.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.93 -76.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 137.66 86.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 62' ' ' CYS . 30.7 p -58.86 -20.72 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -84.54 3.62 35.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -82.9 129.77 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 p -80.68 -175.67 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -16.88 62.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.98 -41.4 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.609 ' CD2' HG12 ' A' ' 20' ' ' VAL . 20.2 m170 -56.61 -51.44 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.06 HG13 HD22 ' A' ' 61' ' ' LEU . 95.8 t -50.34 -31.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -76.96 -51.97 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -57.53 -48.78 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -55.12 -34.11 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 50' ' ' THR . 4.7 tp -65.41 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.0 mt-10 -54.17 -27.68 35.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -69.9 -62.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.28 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.6 mt -71.66 -49.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -17.57 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.05 -54.74 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.96 8.6 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m 51.52 66.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.621 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.4 mt -98.71 151.15 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -144.12 167.4 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.46 29.89 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -103.5 136.79 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -96.55 89.58 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 36' ' ' LEU . 70.8 p -64.19 -24.68 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -25.36 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -68.8 -24.11 64.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.54 18.38 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.33 -25.68 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -139.42 31.43 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -98.51 99.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 150.7 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -46.04 -33.6 5.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -66.34 -43.62 85.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -78.36 -11.32 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.06 HD22 HG13 ' A' ' 32' ' ' VAL . 12.4 tp -89.11 -33.5 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.4 p -81.34 -14.33 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -91.26 -27.19 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmm -51.98 148.76 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.39 178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' HD11 ' A' ' 82' ' ' LEU . 5.7 tptm -51.77 -38.1 54.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -62.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.03 -29.57 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' A' ' 78' ' ' THR . 4.3 m-85 -77.36 -35.2 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.9 mt -69.92 -18.61 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -84.05 3.18 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.57 -39.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.28 156.73 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 7.7 t -62.22 159.47 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HA ' HD21 ' A' ' 70' ' ' LEU . 26.2 tp -52.08 -51.53 57.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.52 -54.73 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 92.0 m-20 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' HB3' ' A' ' 69' ' ' PHE . 95.9 m -63.41 -28.03 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.47 -33.82 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.9 -58.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.44 -58.53 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 66' ' ' LYS . 19.7 mt -52.47 -44.91 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -60.95 -46.58 90.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -58.11 -57.02 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -25.17 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -40.21 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -79.92 -54.37 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 31' ' ' HIS . 7.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.628 0.728 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 151.97 69.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.21 -68.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 109.35 1.36 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.88 33.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -20.96 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.77 -6.42 58.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -58.7 131.92 52.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -78.71 179.88 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -18.98 60.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -93.87 -44.06 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.524 ' CD2' HG12 ' A' ' 20' ' ' VAL . 22.6 m170 -51.98 -50.83 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.104 HG13 HD22 ' A' ' 61' ' ' LEU . 78.7 t -51.21 -35.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -73.71 -52.89 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.44 -49.41 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -58.5 -37.64 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -61.81 -59.11 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.696 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -55.44 -25.92 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.7 t90 -73.39 -58.92 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.02 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.5 mt -73.37 -58.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -11.57 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.81 -52.15 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 12.14 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m 51.65 52.17 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mt -85.76 146.72 26.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -141.32 167.02 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.4 28.35 15.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 tt -101.94 136.33 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.76 87.25 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 p -61.94 -22.61 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -26.06 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 t80 -67.63 -24.27 65.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -113.22 19.6 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -136.13 25.72 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.521 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -88.82 100.97 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.52 150.23 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 -37.48 6.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -63.28 -43.5 97.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.5 -12.93 60.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.104 HD22 HG13 ' A' ' 32' ' ' VAL . 18.6 tp -88.66 -31.05 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.4 m -84.38 -13.08 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.7 -28.04 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.9 mmm -51.93 152.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.93 176.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HA ' HD11 ' A' ' 82' ' ' LEU . 4.7 tptm -51.77 -37.08 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.5 -32.68 65.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 78' ' ' THR . 2.9 m-85 -72.33 -34.09 67.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.3 -19.44 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -84.14 3.02 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.41 -39.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -129.49 156.81 43.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.18 159.42 14.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.97 -51.41 57.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -49.56 -54.97 15.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.661 ' H ' HG23 ' A' ' 74' ' ' THR . 92.3 m-20 -63.78 -32.94 74.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 69' ' ' PHE . 94.4 m -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 -34.58 47.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.13 -57.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.04 -57.65 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 HG22 ' A' ' 78' ' ' THR . 24.8 mt -52.37 -48.22 65.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -59.36 -46.31 88.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -59.8 -55.18 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -25.81 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -44.46 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -73.88 -54.75 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG12 ' CD2' ' A' ' 31' ' ' HIS . 29.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.627 0.727 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 2.285 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 108.98 1.17 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -15.4 37.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.71 -22.89 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.07 -6.9 58.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -57.36 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -80.3 178.93 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -17.39 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.36 -38.89 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CD2' HG12 ' A' ' 20' ' ' VAL . 25.2 m170 -57.91 -51.92 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.083 HG13 HD22 ' A' ' 61' ' ' LEU . 84.6 t -51.37 -31.62 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -75.54 -56.52 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.03 -44.51 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -58.25 -40.39 81.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.62 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 mt-10 -52.09 -29.53 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -71.6 -61.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -31.35 20.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.8 mt -68.05 -45.8 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -16.44 57.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -43.71 11.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -102.95 10.23 38.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m 51.39 49.83 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -76.93 136.5 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.9 mtt -129.89 161.84 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.52 37.2 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 73' ' ' THR . 6.5 tt -111.17 136.03 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.15 97.89 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -70.41 -24.88 63.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -26.02 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.0 t80 -65.5 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -113.41 23.61 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -69.56 -25.12 63.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -138.21 33.2 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.497 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.1 tpp -99.79 99.67 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.57 150.44 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.14 -36.84 4.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.731 0.301 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.083 HD22 HG13 ' A' ' 32' ' ' VAL . 65.5 tp -88.02 -28.63 21.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.1 m -87.62 -14.67 39.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -90.04 -29.03 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 mmm -52.16 158.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.18 178.43 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tttm -51.86 -38.4 55.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -60.28 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.63 -31.33 57.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.517 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.9 m-85 -79.67 -34.32 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -68.9 -17.42 63.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -83.06 2.01 37.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.32 -39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -122.15 155.97 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.0 t -63.07 165.62 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.7 tp -57.9 -52.8 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -49.45 -51.13 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.693 ' H ' HG23 ' A' ' 74' ' ' THR . 77.7 m-20 -64.0 -36.64 84.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.608 HG21 ' HG3' ' A' ' 66' ' ' LYS . 89.6 m -57.81 -41.69 82.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.37 87.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -68.09 -54.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.04 -54.95 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.8 mm? -54.92 -45.47 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 t -62.89 -46.23 88.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -59.99 -56.88 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -25.66 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -44.21 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -75.07 -54.17 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.8 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.592 0.71 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -76.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.47 141.79 97.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -30.48 22.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -58.95 -20.0 48.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -88.61 8.85 26.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -87.87 126.67 35.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -78.81 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -17.11 60.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -95.77 -43.22 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.719 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.8 m170 -53.82 -52.16 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.984 HG13 HD22 ' A' ' 61' ' ' LEU . 77.6 t -50.2 -31.01 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -79.7 -45.56 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -54.17 -35.74 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 53' ' ' PHE . 4.6 tp -62.15 -62.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 40' ' ' ILE . 9.3 mt-10 -54.61 -26.87 35.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.77 -63.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.07 -30.47 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.2 mt -69.95 -48.93 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -18.6 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.84 -54.64 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -89.56 8.3 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m 51.67 58.4 5.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.594 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -88.1 151.96 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -144.22 166.98 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.47 29.92 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.549 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.9 tt -104.09 136.62 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.03 91.87 6.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.5 p -65.29 -27.2 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -25.1 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -66.3 -22.84 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' HD21 ' A' ' 36' ' ' LEU . 25.3 m-85 -115.73 21.38 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -143.3 35.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -101.83 100.08 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 150.95 25.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.34 -34.06 4.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -44.75 89.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -78.23 -11.26 59.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.984 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.61 -35.33 15.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.3 p -78.1 -16.7 57.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -25.27 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 151.19 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 177.64 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.44 -36.52 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -59.83 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.5 -27.5 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.6 m-85 -81.57 -36.21 29.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.8 mt -69.37 -18.77 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.58 1.42 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.19 -39.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.549 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -122.99 156.26 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.78 166.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -58.15 -51.44 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -49.5 -51.21 37.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 93.2 m-20 -66.41 -35.3 79.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.7 m -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.02 -38.3 57.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.55 -57.91 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -51.86 -54.79 25.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -55.15 -45.7 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -43.91 98.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.96 -60.11 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -32.83 64.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -45.2 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.08 -55.02 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.706 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.5 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.617 0.722 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.04 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -76.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.55 141.82 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.05 28.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.571 HG22 ' SG ' ' A' ' 62' ' ' CYS . 78.4 p -61.32 -18.53 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 23' ' ' ASP . 5.1 mp -94.82 17.22 14.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -93.22 122.14 35.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -71.86 -178.89 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -17.66 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -95.71 -43.61 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.706 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.2 m170 -51.45 -53.22 39.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 61' ' ' LEU . 73.0 t -50.19 -30.63 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -79.99 -45.65 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -61.74 -49.91 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.416 ' CH2' HD22 ' A' ' 81' ' ' LEU . 57.4 t90 -55.62 -36.59 67.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.17 -62.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.6 mt-10 -54.98 -26.49 37.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -69.82 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.14 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.0 mt -71.61 -47.41 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -18.07 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.58 -55.72 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -88.52 7.99 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.0 m 51.66 65.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.5 mt -95.57 151.52 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.2 mtt -143.54 166.03 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.37 31.52 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.5 tt -106.42 136.02 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.54 88.83 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -63.11 -27.3 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -35.87 71.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.55 -27.04 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -111.59 25.61 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -21.97 66.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.22 29.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.529 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -94.21 97.94 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.46 150.91 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.15 -35.88 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.436 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -47.05 86.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.97 -12.26 59.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.982 HD22 HG13 ' A' ' 32' ' ' VAL . 14.8 tp -88.96 -35.88 16.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.571 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -77.7 -16.81 58.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -22.97 22.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -51.93 154.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.19 178.4 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -51.55 -44.57 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.77 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.56 -33.14 59.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 5.3 m-85 -78.08 -36.21 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.4 mt -69.23 -18.4 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.32 1.13 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.64 -39.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.542 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -121.94 156.19 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.88 166.71 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.612 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.5 tp -58.5 -51.52 69.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -49.34 -50.88 37.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 91.0 m-20 -66.7 -35.83 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.9 m -57.62 -31.54 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.44 -39.1 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.31 -57.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CH2' ' A' ' 35' ' ' TRP . 74.0 mt -51.65 -54.24 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.57 -45.08 77.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -62.14 -43.66 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -64.28 -59.86 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -32.33 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -43.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.68 -54.9 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 31' ' ' HIS . 33.2 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.576 0.703 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.9 58.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.63 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.71 109.5 1.42 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.6 24.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.485 HG22 ' SG ' ' A' ' 62' ' ' CYS . 9.5 p -82.32 -24.14 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.62 -1.05 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -65.6 129.14 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 p -77.83 177.83 7.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -18.0 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.46 -39.22 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -56.95 -52.83 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.032 HG13 HD22 ' A' ' 61' ' ' LEU . 72.8 t -50.7 -33.52 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.8 -47.44 59.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -55.01 -39.6 69.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.38 -62.46 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.753 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -53.22 -28.64 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -69.53 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.92 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.5 mt -70.14 -48.12 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -17.28 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -51.85 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -92.94 8.53 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.0 m 51.57 71.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.8 mt -104.18 152.59 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtt -144.4 167.92 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 63.48 29.31 15.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.493 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -101.77 140.65 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.8 89.1 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.1 p -63.95 -30.22 71.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -27.78 53.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.0 t80 -67.46 -24.66 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.51 23.53 13.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.91 -32.82 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -132.65 35.08 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.484 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.1 tpp -98.0 100.21 11.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.76 150.69 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.69 -34.6 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.02 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.23 -11.28 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.032 HD22 HG13 ' A' ' 32' ' ' VAL . 25.4 tp -89.25 -33.66 16.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.485 ' SG ' HG22 ' A' ' 25' ' ' THR . 19.3 p -81.23 -15.65 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -89.09 -29.34 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.0 150.98 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -120.38 178.28 4.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tptt -51.83 -40.14 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -58.12 6.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.93 -30.16 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.526 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.55 -34.25 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -68.97 -18.01 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -82.94 1.86 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.4 -39.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.493 ' OG1' HD12 ' A' ' 48' ' ' ILE . 7.0 t -123.17 156.14 35.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.8 t -62.81 165.14 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HA ' HD21 ' A' ' 70' ' ' LEU . 29.0 tp -57.79 -51.75 68.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -49.46 -51.91 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.677 ' H ' HG23 ' A' ' 74' ' ' THR . 87.3 m-20 -65.08 -36.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.0 m -57.29 -40.63 78.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.36 -38.19 87.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.3 -55.62 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.3 -55.61 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -54.11 -47.44 71.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -61.29 -45.7 93.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.68 -57.86 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -32.37 67.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.56 -30.48 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -89.19 -50.06 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 30.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 152.88 69.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -51.59 109.37 1.36 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.4 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.482 HG22 ' SG ' ' A' ' 62' ' ' CYS . 10.0 p -82.66 -24.97 33.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 -1.16 57.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -65.59 127.86 33.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.9 p -76.07 178.56 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -18.29 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -94.87 -43.26 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.6 m170 -51.69 -52.48 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 78.5 t -50.67 -30.91 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -75.71 -55.81 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.02 -44.37 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -57.93 -40.53 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 50' ' ' THR . 3.3 tp -60.8 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 40' ' ' ILE . 14.1 mt-10 -52.31 -29.3 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -71.51 -61.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.3 -30.7 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.0 -48.87 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -73.61 -19.01 60.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.74 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.31 7.55 31.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 m 51.65 67.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 ' OD1' ' A' ' 77' ' ' ASN . 45.8 mt -99.33 152.8 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 mtt -144.28 166.83 23.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.24 30.64 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.7 tt -104.27 136.18 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.52 88.62 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.466 HG22 HD23 ' A' ' 36' ' ' LEU . 62.9 p -64.6 -23.86 67.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -25.68 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 15.7 t80 -69.81 -25.24 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.93 11.63 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.24 -26.83 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.61 39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.49 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -108.85 100.26 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.68 150.57 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.83 -34.01 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -44.08 87.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -77.81 -11.87 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 14.9 tp -88.76 -35.37 16.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.482 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -78.74 -15.59 58.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -90.99 -26.12 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.5 mmm -51.85 149.18 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.08 -179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD11 ' A' ' 82' ' ' LEU . 3.2 tptm -51.78 -39.12 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.93 -58.88 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.63 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.58 ' HB3' HG23 ' A' ' 78' ' ' THR . 5.1 m-85 -83.41 -33.94 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.9 -18.4 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -84.16 3.11 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.67 -39.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -127.4 156.89 41.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.2 t -62.08 158.92 15.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CA ' HD21 ' A' ' 70' ' ' LEU . 32.6 tp -51.75 -50.04 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.81 -55.51 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.69 ' OD1' HD22 ' A' ' 45' ' ' LEU . 97.0 m-20 -64.78 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.58 HG23 ' HB3' ' A' ' 69' ' ' PHE . 96.2 m -63.16 -27.08 69.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.15 -34.73 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.48 -58.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -51.5 -58.0 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 66' ' ' LYS . 17.0 mt -52.53 -47.17 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 t -59.48 -46.25 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -58.3 -55.76 30.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -31.84 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -87.74 -50.26 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.653 0.74 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.77 67.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.57 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.87 111.72 3.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.55 36.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -18.58 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.02 -7.82 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -58.13 132.76 54.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -80.57 -179.43 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -17.53 59.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.56 -42.4 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 20' ' ' VAL . 21.3 m170 -53.5 -52.19 60.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 79.0 t -50.92 -34.83 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -73.77 -52.91 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -53.5 -50.52 65.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -56.71 -36.37 69.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.9 tp -62.61 -59.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt-10 -55.39 -26.2 40.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -71.74 -59.4 2.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.02 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.9 mt -73.06 -59.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -12.08 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -93.7 -51.08 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.451 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.5 m-85 -91.35 12.33 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m 51.52 52.34 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.6 mt -87.09 149.35 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtt -144.32 166.67 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 63.33 26.3 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.454 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -98.54 136.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -92.81 94.1 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.5 p -70.84 -25.29 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -25.77 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.2 -24.35 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -111.61 21.63 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.43 -25.91 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -137.53 39.15 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 tpp -106.37 99.12 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.36 150.29 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.37 -37.01 3.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.0 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.36 -11.03 60.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 54.7 tp -87.65 -28.16 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.82 -15.72 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -89.61 -29.72 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -52.05 149.81 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.0 178.58 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.579 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.1 tptt -51.61 -37.35 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.77 -59.46 3.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -54.95 -28.0 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' THR . 2.5 m-85 -83.86 -32.06 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.9 mt -69.39 -18.65 63.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -83.14 1.96 37.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.82 -39.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -124.41 156.19 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.76 165.74 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.8 tp -57.8 -52.14 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -49.49 -52.17 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 80.7 m-20 -63.87 -36.77 85.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.579 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.9 m -58.19 -40.72 82.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.2 t -66.41 -55.09 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.51 -55.21 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.32 -47.82 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -61.17 -45.7 93.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -61.68 -56.78 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -35.13 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -51.86 -30.91 25.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -54.27 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.73 68.56 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -67.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' HB2' HD12 ' A' ' 26' ' ' LEU . 23.5 m-20 -50.68 108.79 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.703 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.3 Cg_endo -69.8 -16.0 37.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.63 -23.03 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' A' ' 23' ' ' ASP . 81.6 mt -85.74 -6.89 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -57.83 134.01 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 p -81.87 179.51 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -17.6 58.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -95.42 -39.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.4 m170 -57.36 -51.25 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.054 HG13 HD22 ' A' ' 61' ' ' LEU . 86.9 t -51.22 -31.26 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.62 -55.63 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -52.02 -45.15 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -58.19 -38.84 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.46 -60.69 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 40' ' ' ILE . 10.1 mt-10 -53.94 -27.39 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.05 -62.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.96 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -69.61 -48.28 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -19.37 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -55.45 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.7 m-85 -88.46 7.87 30.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.75 57.32 6.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -86.62 152.27 22.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 mtt -143.89 166.28 25.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.35 30.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.4 tt -105.37 136.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.45 94.96 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -68.46 -24.04 64.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -26.22 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -66.19 -25.53 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -112.78 23.7 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -68.21 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.15 34.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -101.23 100.38 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 150.44 27.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.01 6.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -63.04 -43.92 97.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -77.16 -11.76 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.054 HD22 HG13 ' A' ' 32' ' ' VAL . 61.7 tp -87.81 -27.59 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.4 m -88.84 -13.3 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -26.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.1 mmm -52.96 160.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.62 177.79 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.2 tptt -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.91 -59.59 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.24 -34.87 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.502 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.3 m-85 -77.04 -32.41 56.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.7 mt -69.56 -19.21 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -83.06 1.88 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -131.83 -39.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -123.95 156.23 36.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.2 t -62.7 165.9 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.578 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.6 tp -57.82 -51.49 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -49.61 -51.27 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.651 ' H ' HG23 ' A' ' 74' ' ' THR . 94.0 m-20 -66.33 -34.85 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.586 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.4 m -59.26 -31.03 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.51 -37.45 56.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 43' ' ' TYR . 93.7 t -67.94 -55.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.64 -55.11 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.34 -45.75 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -62.14 -45.53 93.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.6 -57.84 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.48 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -35.15 46.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -81.9 -55.3 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG12 ' CD2' ' A' ' 31' ' ' HIS . 34.7 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.655 0.74 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 153.59 68.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.74 -67.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.55 109.31 1.33 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 62' ' ' CYS . 12.8 p -82.29 -24.29 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.9 mt -87.13 -1.36 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -65.19 126.58 28.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -74.54 177.46 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -18.88 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.93 -43.27 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.5 m170 -51.64 -51.88 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.986 HG13 HD22 ' A' ' 61' ' ' LEU . 69.2 t -51.21 -30.01 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -77.38 -52.72 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -53.37 -47.83 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.444 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.3 t90 -56.28 -39.88 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 53' ' ' PHE . 3.2 tp -60.32 -61.49 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' ILE . 24.9 mt-10 -53.93 -27.37 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -72.61 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.41 -30.56 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -69.97 -48.09 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -19.04 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 -55.29 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.9 m-85 -88.55 7.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t 51.92 57.15 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.0 mt -86.68 151.49 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.1 mtt -144.43 165.21 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 63.32 32.02 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' OG1' ' A' ' 73' ' ' THR . 7.4 tt -106.87 135.87 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -94.01 86.47 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -62.26 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -35.26 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.37 -26.16 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' CD1' HD21 ' A' ' 36' ' ' LEU . 21.9 m-85 -112.48 24.32 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -23.5 67.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.91 25.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.6 tpp -88.39 101.42 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.44 150.87 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.35 -35.64 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -46.39 85.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -75.63 -10.86 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.986 HD22 HG13 ' A' ' 32' ' ' VAL . 20.1 tp -90.4 -33.01 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -83.05 -13.9 54.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -32.31 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.29 145.62 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.407 ' ND2' ' H ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -115.73 -177.15 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HG3' HG21 ' A' ' 78' ' ' THR . 3.6 tptm -51.06 -44.78 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.09 -62.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.407 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 23.0 m-20 -51.76 -37.65 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.4 m-85 -71.91 -33.18 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.53 -18.76 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -83.15 1.99 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.52 -39.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' PHE . 6.3 t -123.91 156.42 36.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.69 165.47 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 24.2 tp -57.33 -51.18 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -49.46 -52.21 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.643 ' H ' HG23 ' A' ' 74' ' ' THR . 92.7 m-20 -65.79 -34.97 79.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.561 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.7 m -59.19 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.91 -37.54 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' CD2' ' A' ' 43' ' ' TYR . 83.1 t -67.17 -56.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' CH2' ' A' ' 35' ' ' TRP . 78.1 mt -53.42 -54.9 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.67 -45.95 73.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 t -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -64.46 -58.38 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -34.68 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -51.62 -30.17 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -88.89 -50.31 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 31' ' ' HIS . 35.9 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.615 0.721 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.65 59.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.76 -67.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 123.46 61.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.4 p -61.85 -17.39 56.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.2 3.5 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -77.5 132.42 38.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -80.57 -179.46 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.58 57.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.47 -43.25 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.635 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.89 -51.5 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 HD22 ' A' ' 61' ' ' LEU . 75.0 t -51.1 -29.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -78.24 -54.88 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -53.49 -45.95 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -56.68 -39.47 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.71 -60.73 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.5 mt-10 -51.97 -29.58 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -70.43 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.25 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.4 mt -70.45 -47.8 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -18.33 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -51.0 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-85 -91.63 9.42 32.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m 51.66 47.72 24.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.574 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.4 mt -78.4 151.14 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 mtt -144.34 166.97 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.42 30.8 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.531 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.6 tt -101.67 151.29 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.01 90.12 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -67.06 -26.99 67.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -25.26 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.453 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.9 t80 -66.35 -24.87 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -113.86 20.46 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.52 -30.7 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -135.68 43.78 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -109.41 103.1 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 150.75 26.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.95 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -45.92 83.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.65 -11.23 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.922 HD22 HG13 ' A' ' 32' ' ' VAL . 27.2 tp -89.39 -36.72 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -78.39 -17.14 56.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.26 -28.12 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -53.94 139.19 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -106.31 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.63 ' HG3' HG21 ' A' ' 78' ' ' THR . 5.0 tttm -51.94 -31.63 29.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.32 -52.96 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.13 -25.97 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.7 m-85 -81.25 -32.41 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.8 mt -69.28 -18.17 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.0 1.91 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.21 -39.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.531 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.15 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.98 165.73 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 70' ' ' LEU . 23.7 tp -58.06 -52.86 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.2 -50.95 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 74' ' ' THR . 77.6 m-20 -64.21 -36.96 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.63 HG21 ' HG3' ' A' ' 66' ' ' LYS . 90.6 m -57.09 -43.19 81.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.13 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 43' ' ' TYR . 97.9 t -66.7 -54.64 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.1 mt -57.48 -54.93 41.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.87 -45.81 74.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.8 t -62.72 -45.91 90.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -62.33 -56.83 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -32.7 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -30.93 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -87.73 -51.96 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.591 0.71 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.54 140.34 94.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.7 19.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.1 p -58.99 -20.31 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.23 5.81 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -85.25 123.41 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 p -74.96 -177.13 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.65 -16.97 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 -42.69 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.0 m170 -53.95 -51.04 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 56' ' ' MET . 92.9 t -51.0 -30.81 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.41 -42.01 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.06 -54.44 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.407 ' CH2' HD22 ' A' ' 81' ' ' LEU . 63.9 t90 -53.18 -31.87 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.3 tp -65.04 -62.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -52.53 -28.94 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -68.98 -59.6 2.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -26.16 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.3 mt -73.66 -53.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -4.02 43.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -98.25 -55.56 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -92.48 14.69 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 51.53 71.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD22 ' OD1' ' A' ' 77' ' ' ASN . 33.1 mt -105.13 145.2 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 mtt -139.92 166.33 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.49 27.41 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.2 tt -99.28 136.64 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.1 94.93 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 p -66.84 -24.31 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -34.38 77.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -57.41 -23.92 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' HD21 ' A' ' 36' ' ' LEU . 14.4 m-85 -115.87 22.69 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -65.04 -25.28 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -142.72 29.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.561 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -94.75 99.96 11.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.64 149.91 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.94 -34.66 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.26 -47.14 74.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -74.36 -12.19 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.58 ' O ' HD22 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -90.49 -50.84 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.7 p -62.94 -19.52 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -86.76 -25.05 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 mmm -52.18 149.04 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.96 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -51.91 -47.25 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -58.68 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.05 -41.03 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 82' ' ' LEU . 1.1 m-85 -65.65 -37.99 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 75' ' ' LEU . 10.4 mt -69.32 -17.91 63.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -83.94 3.02 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.35 -39.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.5 t -124.85 156.36 37.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.66 165.78 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.1 tp -58.22 -53.42 58.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -48.94 -50.3 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.697 ' H ' HG23 ' A' ' 74' ' ' THR . 77.5 m-20 -64.21 -37.49 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 69' ' ' PHE . 63.5 m -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.34 -38.7 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.84 -54.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 ' CH2' ' A' ' 35' ' ' TRP . 37.6 mt -58.58 -53.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.1 mm? -55.66 -44.54 77.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -63.86 -45.65 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.06 -56.27 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.36 70.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -35.54 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -82.31 -55.47 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.634 0.731 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 153.15 69.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 109.12 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.706 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.06 -19.6 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -91.08 -6.52 53.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -58.06 134.57 56.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 p -81.0 178.49 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -18.12 57.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -95.59 -43.08 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 24.0 m170 -51.56 -52.53 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.102 HG13 HD22 ' A' ' 61' ' ' LEU . 89.5 t -50.88 -30.21 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -76.66 -54.85 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -53.18 -46.08 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.73 -61.34 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' ILE . 5.7 mt-10 -52.76 -29.03 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -70.91 -61.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.11 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.8 -52.46 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -16.0 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.6 -52.71 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.447 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.5 m-85 -89.98 10.03 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m 51.6 54.01 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 34.9 mt -86.23 151.0 23.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 mtt -143.94 167.89 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.32 28.41 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -102.86 137.29 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.1 87.56 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.6 p -62.35 -27.43 69.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -25.81 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 6.3 t80 -67.49 -24.77 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -112.28 21.61 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -67.01 -27.5 67.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -135.84 42.78 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.3 tpp -110.23 101.86 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 150.21 28.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.55 -36.09 4.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -46.74 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.82 -11.15 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.102 HD22 HG13 ' A' ' 32' ' ' VAL . 61.8 tp -88.51 -29.7 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.61 -15.73 44.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -89.69 -28.63 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -51.88 150.27 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.6 179.55 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.6 tptt -52.12 -39.73 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.06 -59.28 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.71 -28.12 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -83.35 -33.9 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -69.25 -18.26 63.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -82.71 1.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.8 -39.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.519 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.43 156.25 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.9 165.58 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.0 tp -57.73 -52.17 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -49.48 -51.99 32.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.676 ' H ' HG23 ' A' ' 74' ' ' THR . 87.9 m-20 -63.91 -36.16 83.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.413 HG21 ' HG3' ' A' ' 66' ' ' LYS . 84.8 m -58.64 -40.21 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.34 -36.73 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 43' ' ' TYR . 90.7 t -68.92 -53.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.4 -54.68 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.9 -45.12 74.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -63.47 -46.29 86.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -60.6 -56.29 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.35 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -32.3 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -85.08 -54.43 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.696 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.3 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 175.62 7.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -76.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 141.77 97.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.62 24.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.547 HG22 ' SG ' ' A' ' 62' ' ' CYS . 81.7 p -59.83 -19.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -91.09 12.65 19.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -90.68 123.99 34.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -75.72 -178.17 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.84 -17.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.3 -43.87 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.696 ' CD2' HG12 ' A' ' 20' ' ' VAL . 10.7 m170 -51.92 -51.8 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 56' ' ' MET . 97.6 t -50.92 -32.3 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -76.83 -40.78 46.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -67.12 -53.38 31.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -54.25 -31.79 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -65.15 -62.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -54.3 -27.43 35.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -70.2 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.18 -30.19 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -69.55 -46.47 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -77.05 -18.4 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.94 -45.51 10.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CD2' HG11 ' A' ' 80' ' ' VAL . 39.9 m-85 -99.37 10.19 41.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m 51.46 44.48 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.1 mt -72.07 143.52 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 mtt -137.27 161.86 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.41 35.78 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.471 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.5 tt -106.54 136.38 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.85 99.25 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.8 p -72.44 -23.58 61.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -29.86 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -62.02 -24.0 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.4 m-85 -115.66 23.25 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -65.39 -25.1 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -145.14 30.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -95.04 99.85 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.42 150.28 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.05 -35.27 3.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -48.97 70.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -87.99 -51.96 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.9 p -62.0 -22.32 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.58 1.49 48.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmm -74.18 161.42 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.85 176.31 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.73 -42.44 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -57.05 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.16 -34.13 59.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.1 m-85 -75.59 -36.81 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.4 mt -69.55 -17.8 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -83.6 2.74 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.501 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.43 -39.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 48' ' ' ILE . 5.8 t -123.74 156.39 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.78 165.5 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 47.9 tp -58.51 -49.36 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.14 -51.92 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 74' ' ' THR . 68.2 m-20 -67.96 -35.52 78.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.8 m -56.18 -32.97 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.57 -41.78 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 43' ' ' TYR . 85.8 t -62.52 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.72 -53.99 33.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.27 -44.6 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -62.86 -44.93 94.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.99 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -33.47 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -84.87 -55.59 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.48 69.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.34 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.67 108.77 1.1 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -17.2 37.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -21.84 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.26 -8.13 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -58.13 131.37 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -80.81 179.73 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -17.56 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 -39.86 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.0 m170 -57.25 -51.88 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.016 HG13 HD22 ' A' ' 61' ' ' LEU . 82.5 t -50.87 -30.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -77.7 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.13 -45.49 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -56.75 -39.47 74.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.34 -61.2 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.6 mt-10 -52.13 -29.51 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -70.27 -62.41 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.03 -31.23 17.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.6 mt -69.35 -49.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.34 -53.48 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.1 m-85 -89.54 9.47 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 51.57 45.52 27.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.7 mt -75.0 151.62 38.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 mtt -144.23 166.33 25.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 63.39 31.33 15.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.6 tt -103.44 142.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.54 93.42 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -68.31 -25.84 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -26.16 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.5 t80 -66.98 -25.66 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -112.21 23.63 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.74 -25.59 64.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -138.9 39.21 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.5 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.7 tpp -106.53 100.16 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 150.39 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.88 5.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.3 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.86 -11.06 60.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.016 HD22 HG13 ' A' ' 32' ' ' VAL . 65.8 tp -87.99 -29.31 20.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.4 m -85.21 -16.51 40.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -88.71 -25.31 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 mmm -56.33 148.47 18.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.24 178.94 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.2 tptt -51.86 -38.75 57.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.62 -59.99 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.38 -27.43 36.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.518 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.9 m-85 -84.0 -34.68 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.09 -18.07 63.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -82.81 1.67 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.11 -39.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.15 156.09 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.9 t -62.98 165.4 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 13.1 tp -58.11 -52.76 64.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -49.37 -50.3 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.701 ' H ' HG23 ' A' ' 74' ' ' THR . 75.5 m-20 -64.47 -36.94 85.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 66' ' ' LYS . 62.1 m -56.48 -44.26 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.41 -38.14 88.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 43' ' ' TYR . 86.6 t -66.28 -53.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.99 -55.1 39.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.22 -46.3 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.28 -46.62 85.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' ND1' HD11 ' A' ' 88' ' ' LEU . 26.3 t-80 -59.86 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.807 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -57.46 -30.4 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -33.2 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -83.19 -47.01 12.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 85' ' ' LEU . 5.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m 59.93 69.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.12 -176.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.17 27.58 73.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.66 123.75 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -132.23 51.49 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.67 177.28 1.4 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.72 23.65 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.244 . . . . 0.0 112.377 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 104.43 1.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -62.19 158.27 17.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.47 ' CE ' HG22 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -63.63 160.24 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -77.89 145.37 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.559 HG21 ' H ' ' A' ' 17' ' ' ARG . 15.0 t -174.34 165.14 3.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -60.71 -59.58 5.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -113.99 -71.71 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -172.26 80.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' H ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -168.77 168.52 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG21 ' CG ' ' A' ' 38' ' ' TRP . 20.1 t -104.2 150.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.4 mt -122.03 87.15 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.6 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.6 m -134.25 154.86 80.21 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 0.0 111.143 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.49 53.21 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -64.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.03 121.45 71.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.605 0.717 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.79 34.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -68.91 -18.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.2 mt -89.88 -5.1 57.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -64.68 131.45 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.954 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 p -80.86 -177.76 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.47 -17.53 59.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -95.39 -43.63 7.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.1 m170 -52.71 -51.42 60.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.969 HG13 HD22 ' A' ' 61' ' ' LEU . 78.3 t -50.95 -31.0 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -80.18 -43.49 21.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.57 -53.13 60.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.4 t90 -56.35 -33.89 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.15 -60.24 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.8 mt-10 -56.58 -24.82 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.48 ' CG ' HG21 ' A' ' 18' ' ' VAL . 34.2 t90 -71.49 -62.16 1.51 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -29.76 15.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.5 mt -70.62 -48.23 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -74.53 -19.84 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.34 -54.38 4.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.8 m-85 -88.88 8.55 28.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 m 51.68 51.15 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.609 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.4 mt -80.6 150.52 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -143.23 167.8 21.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.37 25.69 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -101.08 136.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -96.52 87.57 4.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -62.31 -23.95 67.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -61.92 -36.03 80.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -54.69 -27.13 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -110.84 25.33 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -22.46 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -143.08 34.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -99.45 100.99 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 150.35 26.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.1 -41.05 4.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -47.89 82.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -72.9 -11.01 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.969 HD22 HG13 ' A' ' 32' ' ' VAL . 63.5 tp -88.12 -30.31 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.41 -17.4 39.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -87.27 -25.82 23.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.68 145.27 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -115.16 179.54 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG3' HG21 ' A' ' 78' ' ' THR . 0.9 OUTLIER -51.82 -41.34 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.66 -59.83 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.95 -32.24 44.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.3 m-85 -79.87 -30.96 40.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 75' ' ' LEU . 9.5 mt -69.8 -19.72 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -83.94 3.05 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.25 -38.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.0 t -125.72 156.36 39.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.65 164.05 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.525 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.2 tp -55.92 -52.06 65.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -49.41 -52.08 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.664 ' H ' HG23 ' A' ' 74' ' ' THR . 89.3 m-20 -65.38 -34.12 77.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.509 HG21 ' HG3' ' A' ' 66' ' ' LYS . 98.2 m -61.55 -30.35 70.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -35.6 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG11 ' CD2' ' A' ' 43' ' ' TYR . 95.7 t -70.42 -54.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.473 HD22 ' CH2' ' A' ' 35' ' ' TRP . 86.9 mt -55.06 -54.88 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.56 -46.96 73.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -44.91 96.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -62.61 -58.35 7.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -27.27 60.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -44.98 76.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -74.11 -54.52 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 mp -51.8 -33.84 37.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -68.3 -38.26 81.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.52 38.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.03 120.29 4.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.8 p -130.84 53.59 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m 57.78 26.5 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -111.0 -179.52 20.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.43 27.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.392 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 p -90.86 141.3 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.94 -176.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.451 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -70.68 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.809 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.18 157.68 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.89 132.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -67.32 133.39 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 p -113.31 -69.01 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.06 -174.55 20.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 167.74 23.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 176.8 6.35 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.712 2.274 . . . . 0.0 112.327 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -87.58 -66.98 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.59 ' HE1' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -75.6 129.96 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.66 110.51 4.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.611 HG22 ' HB2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -169.67 100.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.85 -30.47 69.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -176.48 33.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.611 ' HB2' HG22 ' A' ' 13' ' ' THR . 6.6 mtp180 -115.91 -170.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.18 -171.96 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.59 HG13 ' HE1' ' A' ' 11' ' ' MET . 14.1 t -96.19 152.37 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 mt -120.76 87.48 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.708 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m -136.06 154.96 77.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 170.95 15.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.303 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.68 -76.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.36 139.74 96.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -29.6 23.9 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.532 HG22 ' SG ' ' A' ' 62' ' ' CYS . 70.5 p -59.33 -19.67 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -88.39 6.47 37.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.4 m0 -85.31 127.54 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.7 p -78.99 -175.53 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.76 -17.28 60.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.85 -44.93 7.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.1 m170 -51.51 -52.27 48.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.038 HG13 HD22 ' A' ' 61' ' ' LEU . 92.1 t -50.33 -31.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -79.37 -44.28 21.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -62.77 -52.44 63.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -54.68 -36.56 64.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.6 -60.72 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' ILE . 3.8 mt-10 -55.22 -26.11 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.507 ' CG ' HG21 ' A' ' 18' ' ' VAL . 33.0 t90 -71.18 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.15 -27.01 30.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.6 mt -73.12 -59.38 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -12.35 61.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.48 -50.67 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -91.15 12.23 20.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m 51.64 53.21 13.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.0 mt -88.61 148.92 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtt -143.19 166.21 25.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.34 28.43 15.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.1 tt -100.79 136.54 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -95.26 92.24 6.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.3 p -66.32 -30.08 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.24 -32.85 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.445 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -58.48 -23.71 58.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.95 21.9 12.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -61.52 -29.99 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -138.08 29.69 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -92.94 101.22 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.53 150.76 26.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.28 -34.27 4.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -65.05 -44.87 87.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -77.33 -11.48 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.038 HD22 HG13 ' A' ' 32' ' ' VAL . 15.3 tp -89.29 -34.68 16.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.532 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -79.83 -15.76 56.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -89.54 -25.17 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.5 mmm -51.75 151.48 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -119.6 177.74 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.7 -40.48 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -58.98 4.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -54.26 -31.46 53.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.9 m-85 -78.83 -36.47 42.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.6 mt -69.39 -18.82 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -82.52 1.31 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.445 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.16 -39.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.535 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.45 156.33 35.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.64 165.23 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 25.1 tp -57.79 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -49.3 -52.01 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.632 ' H ' HG23 ' A' ' 74' ' ' THR . 81.1 m-20 -66.39 -35.52 80.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 98.2 m -57.83 -33.18 68.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.15 -39.67 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.98 -58.22 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.74 -56.12 15.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.65 -48.62 66.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 m -59.39 -46.7 87.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -59.5 -58.63 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -26.95 61.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -44.97 75.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -74.35 -54.72 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.55 -33.55 32.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -72.28 -36.13 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -96.07 33.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.76 -177.74 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.79 170.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.8 t -107.11 -35.13 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.59 173.68 4.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -36.2 11.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.45 -175.15 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 p -162.71 99.39 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 140.82 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -35.79 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.57 75.55 0.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.6 142.38 31.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.54 -36.26 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.43 -74.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 132.18 22.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -56.01 -72.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.509 ' HE2' HG13 ' A' ' 18' ' ' VAL . 6.7 ttt -93.31 144.58 25.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -81.7 129.42 34.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 16' ' ' ARG . 15.4 t -175.75 169.24 3.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.21 -64.19 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -99.66 34.8 2.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.51 ' HA ' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER 56.59 87.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.77 -174.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' CG ' ' A' ' 38' ' ' TRP . 16.2 t -133.65 150.47 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.3 mt -120.64 87.28 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.2 m -135.71 154.97 78.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.667 0.746 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.4 12.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.97 -76.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.59 139.82 96.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -29.49 23.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -59.54 -19.42 48.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.8 mt -88.8 7.03 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.74 126.92 34.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.13 -176.0 4.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -17.29 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -95.77 -44.69 7.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.0 m170 -51.63 -52.33 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.041 HG13 HD22 ' A' ' 61' ' ' LEU . 93.0 t -50.25 -31.24 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -79.2 -43.94 22.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -63.04 -52.39 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -54.93 -35.58 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.48 -60.51 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.731 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.3 mt-10 -55.27 -26.27 39.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.512 ' CG ' HG21 ' A' ' 18' ' ' VAL . 33.8 t90 -70.12 -62.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.02 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.5 mt -70.34 -50.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 -5.3 50.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -99.11 -52.8 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -91.87 13.38 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 51.51 60.41 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD22 ' OD1' ' A' ' 77' ' ' ASN . 24.7 mt -93.94 149.49 21.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.7 mtt -144.13 166.66 24.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.13 27.56 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.533 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -99.99 136.55 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -95.01 93.56 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.8 p -67.22 -29.61 69.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -32.81 64.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.7 t80 -58.47 -23.63 58.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -117.2 22.13 12.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -61.21 -31.52 71.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -136.95 29.33 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.51 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.5 tpp -92.27 100.7 13.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.39 150.94 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.46 -35.1 3.81 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -46.49 84.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -75.78 -11.39 59.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.041 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.56 -35.35 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.59 -15.48 57.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.49 -25.59 21.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.88 152.66 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -121.3 178.4 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -51.51 -40.1 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -61.08 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.97 -30.51 35.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.7 m-85 -79.7 -36.78 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.3 -18.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -82.76 1.59 38.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.44 -39.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.533 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -123.23 156.28 35.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.62 165.6 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.589 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -58.19 -51.18 70.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -49.45 -51.67 34.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.654 ' H ' HG23 ' A' ' 74' ' ' THR . 79.5 m-20 -65.99 -35.63 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.442 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.4 m -58.09 -34.62 70.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -39.26 67.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.38 -58.12 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -51.99 -56.24 15.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.61 -48.57 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -59.49 -46.63 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -59.67 -58.65 7.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -26.88 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -44.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -74.52 -54.69 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -51.53 -33.65 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -72.1 -35.68 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.39 36.25 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -128.37 26.59 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.13 136.56 4.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t 57.91 -179.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.01 175.38 28.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -35.17 13.29 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -35.85 77.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.76 46.82 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.811 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -109.26 -63.93 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.6 37.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.61 -72.82 0.77 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.3 98.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.68 -33.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.47 70.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 167.74 23.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 131.02 20.39 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -96.09 153.87 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.583 ' HE1' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -88.03 137.32 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.7 110.39 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 t -95.49 -3.54 46.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 63.37 39.71 9.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -169.27 -75.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.69 -37.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.83 153.58 48.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.583 HG13 ' HE1' ' A' ' 11' ' ' MET . 15.5 t -63.93 152.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.6 mt -119.45 87.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.0 m -136.36 155.06 77.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 169.61 18.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.138 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.97 139.59 95.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -30.14 22.6 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.313 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.536 HG22 ' SG ' ' A' ' 62' ' ' CYS . 75.7 p -59.08 -19.9 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.181 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.99 7.2 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.3 m0 -86.24 127.32 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.8 p -78.75 -175.33 4.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.95 -17.28 61.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.81 -44.8 7.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.709 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.53 -52.39 47.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 94.1 t -50.17 -31.34 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -79.22 -44.06 22.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -62.73 -52.05 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.7 t90 -55.19 -37.25 66.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.33 -61.55 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.6 mt-10 -53.32 -28.39 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CG ' HG21 ' A' ' 18' ' ' VAL . 34.6 t90 -69.4 -62.24 1.46 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.45 -29.56 16.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -70.36 -46.96 68.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -75.35 -21.76 58.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.53 -53.53 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.3 m-85 -88.79 8.37 29.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m 51.63 45.95 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 49.3 mt -73.22 139.08 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 mtt -130.72 161.39 31.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 63.52 36.97 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.8 tt -108.64 136.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -96.41 91.8 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -64.66 -29.09 70.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.206 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -33.15 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.1 t80 -57.93 -23.43 53.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -116.81 21.52 13.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -61.9 -30.94 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -137.36 33.29 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.8 tpp -97.22 101.2 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.33 151.07 24.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.63 4.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -45.39 86.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.68 0.276 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.3 -11.48 59.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 15.7 tp -89.66 -35.41 15.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.536 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.6 p -79.26 -15.73 57.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -26.14 21.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 148.9 5.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -117.67 178.0 4.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -51.52 -38.98 56.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.33 -59.48 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -54.89 -27.92 46.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.0 m-85 -81.74 -36.74 28.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.09 -18.19 63.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.99 2.04 36.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.47 -39.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.501 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.1 156.17 35.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.689 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.77 164.96 7.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -57.73 -52.39 65.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -49.33 -51.64 33.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.689 ' H ' HG23 ' A' ' 74' ' ' THR . 79.7 m-20 -64.75 -36.95 85.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 92.9 m -57.03 -39.79 75.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.63 -39.46 88.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.1 t -64.67 -57.85 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.9 mt -53.27 -56.41 16.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -52.09 -48.35 64.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 t -60.28 -46.87 88.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 t-80 -59.57 -57.98 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -26.78 62.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -45.06 75.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -74.1 -54.77 7.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -51.69 -33.15 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -72.76 -36.14 67.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -102.78 30.24 4.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -39.74 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.0 t -122.1 39.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.8 166.3 7.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.0 -177.09 48.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 122.57 9.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.4 t -82.25 153.88 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 m 55.22 42.52 30.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.69 158.98 28.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.36 -32.4 12.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.35 -162.92 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.93 94.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 p -123.11 143.58 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.47 169.29 0.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 167.77 23.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 143.93 52.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.252 . . . . 0.0 112.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -112.28 -30.9 7.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HE2' HG13 ' A' ' 18' ' ' VAL . 2.9 ttt -80.38 136.7 36.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.9 m -78.98 110.44 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.0 95.43 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -63.51 -26.07 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -130.52 -74.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -179.22 35.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.54 -170.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.533 HG13 ' HE2' ' A' ' 11' ' ' MET . 15.6 t -101.42 151.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.2 mt -122.17 87.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.713 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.8 m -135.31 154.92 78.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 171.98 13.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.24 -76.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 141.09 96.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -30.47 22.27 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.563 HG22 ' SG ' ' A' ' 62' ' ' CYS . 60.8 p -58.88 -20.67 53.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.24 5.28 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.8 m0 -85.43 126.3 33.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 p -77.93 -174.5 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.53 -17.14 62.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.17 -44.7 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.713 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.6 m170 -51.36 -52.61 44.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 73.6 t -50.02 -31.15 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -80.51 -40.79 25.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -64.84 -52.33 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 55.5 t90 -55.42 -37.39 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.69 -60.5 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.727 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.8 mt-10 -54.02 -27.49 32.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.488 ' CG ' HG21 ' A' ' 18' ' ' VAL . 34.5 t90 -71.58 -61.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.61 -29.28 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -70.97 -48.3 56.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -22.45 59.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -84.35 -53.27 5.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.494 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.6 m-85 -88.86 8.49 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.57 44.61 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.824 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 HD22 ' OD1' ' A' ' 77' ' ' ASN . 46.8 mt -71.54 138.2 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 mtt -130.17 160.62 33.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.66 37.44 10.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.499 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.0 tt -109.19 136.32 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -95.66 90.11 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -64.93 -26.51 68.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -25.85 67.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.4 t80 -65.48 -23.84 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.7 22.08 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -64.97 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -134.14 32.84 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.506 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.9 tpp -99.96 100.45 11.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.6 150.88 26.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.42 -35.39 3.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.39 85.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -75.8 -11.55 60.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 17.7 tp -89.54 -36.3 15.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.563 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.7 p -78.11 -16.08 58.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -89.43 -26.95 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -51.85 150.82 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -120.41 177.27 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -51.48 -35.64 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -60.01 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.42 -27.96 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.62 -36.52 37.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.15 -18.29 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -83.32 2.47 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.62 -39.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.499 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.39 35.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.662 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.69 165.13 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HA ' HD21 ' A' ' 70' ' ' LEU . 22.2 tp -57.9 -51.47 69.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.34 -52.1 30.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.662 ' H ' HG23 ' A' ' 74' ' ' THR . 80.9 m-20 -65.36 -36.22 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.2 m -57.63 -36.35 71.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -70.05 -39.22 75.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 43' ' ' TYR . 80.7 t -65.07 -58.92 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.46 -55.89 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -53.68 -47.61 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t -59.93 -44.35 94.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -64.68 -60.14 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.593 HD23 ' HD3' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -55.65 -32.93 63.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -47.54 64.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.72 -53.66 25.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.15 -25.81 34.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.593 ' HD3' HD23 ' A' ' 85' ' ' LEU . 9.3 mtp85 -79.09 -28.96 43.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -101.11 26.49 6.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.34 133.01 4.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 p -154.44 -69.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 118.86 31.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.93 180.0 31.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.537 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 172.59 12.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -64.13 -37.34 87.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.819 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.7 m 58.81 62.02 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t -130.72 159.54 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.84 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 p -118.52 177.88 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 150.36 35.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.65 -60.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -135.61 135.33 40.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.29 -177.85 48.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.75 23.52 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 120.82 7.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.33 -32.22 73.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 124.71 31.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.67 133.34 34.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 t -167.59 166.74 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -65.27 -60.52 2.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.43 159.42 44.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.35 97.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -115.5 157.51 23.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.609 HG12 HG13 ' A' ' 20' ' ' VAL . 99.5 t -109.8 142.65 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.2 86.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.609 HG13 HG12 ' A' ' 18' ' ' VAL . 31.6 m -124.87 153.61 70.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.658 0.742 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 178.17 4.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.93 -76.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 137.66 86.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 53.0 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.631 HG22 ' SG ' ' A' ' 62' ' ' CYS . 30.7 p -58.86 -20.72 53.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.7 mt -84.54 3.62 35.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -82.9 129.77 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.3 p -80.68 -175.67 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -16.88 62.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -95.98 -41.4 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.609 ' CD2' HG12 ' A' ' 20' ' ' VAL . 20.2 m170 -56.61 -51.44 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.06 HG13 HD22 ' A' ' 61' ' ' LEU . 95.8 t -50.34 -31.28 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -76.96 -51.97 10.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -57.53 -48.78 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -55.12 -34.11 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 50' ' ' THR . 4.7 tp -65.41 -61.03 2.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.0 mt-10 -54.17 -27.68 35.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' HB2' HG21 ' A' ' 18' ' ' VAL . 35.5 t90 -69.9 -62.28 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.69 -29.28 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.6 mt -71.66 -49.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -17.57 61.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -89.05 -54.74 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -88.96 8.6 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m 51.52 66.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.621 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.4 mt -98.71 151.15 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -144.12 167.4 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.46 29.89 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -103.5 136.79 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -96.55 89.58 5.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 36' ' ' LEU . 70.8 p -64.19 -24.68 67.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.08 -25.36 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.6 t80 -68.8 -24.11 64.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -111.54 18.38 19.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.33 -25.68 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -139.42 31.43 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.516 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -98.51 99.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.5 150.7 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -46.04 -33.6 5.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -66.34 -43.62 85.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -78.36 -11.32 59.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.06 HD22 HG13 ' A' ' 32' ' ' VAL . 12.4 tp -89.11 -33.5 17.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.4 p -81.34 -14.33 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -91.26 -27.19 18.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.9 mmm -51.98 148.76 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -116.39 178.0 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' HD11 ' A' ' 82' ' ' LEU . 5.7 tptm -51.77 -38.1 54.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -62.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.03 -29.57 30.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' HB3' HG23 ' A' ' 78' ' ' THR . 4.3 m-85 -77.36 -35.2 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.9 mt -69.92 -18.61 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -84.05 3.18 35.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.57 -39.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -127.28 156.73 41.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 7.7 t -62.22 159.47 14.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HA ' HD21 ' A' ' 70' ' ' LEU . 26.2 tp -52.08 -51.53 57.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.52 -54.73 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 92.0 m-20 -64.09 -32.71 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.589 HG23 ' HB3' ' A' ' 69' ' ' PHE . 95.9 m -63.41 -28.03 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -79.47 -33.82 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.9 -58.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.44 -58.53 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 66' ' ' LYS . 19.7 mt -52.47 -44.91 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.976 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -60.95 -46.58 90.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -58.11 -57.02 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -25.17 64.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -40.21 69.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -79.92 -54.37 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.39 -27.82 26.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG3' ' HG3' ' A' ' 24' ' ' PRO . 36.1 mtp180 -72.24 -34.32 68.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -102.77 32.43 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -124.97 178.61 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t 61.41 59.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -146.85 34.04 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -162.59 171.93 38.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 159.05 54.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 -64.26 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.9 m -69.78 175.4 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -135.27 -65.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.28 135.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.17 -167.39 27.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -112.38 61.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -121.66 145.7 47.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.67 71.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 167.7 23.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -34.12 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.378 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 62.14 171.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.538 ' CE ' HG22 ' A' ' 18' ' ' VAL . 17.7 ptp -99.92 145.75 27.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.1 m -73.41 129.71 38.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -164.92 172.42 12.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.33 -67.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -94.71 -73.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -173.45 -38.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 164.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG22 ' CE ' ' A' ' 11' ' ' MET . 21.4 t -86.8 150.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -127.73 86.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 31' ' ' HIS . 7.4 m -132.15 154.72 81.75 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.165 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 151.97 69.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.21 -68.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.73 109.35 1.36 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.88 33.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.331 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -20.96 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.77 -6.42 58.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -58.7 131.92 52.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -78.71 179.88 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.12 -18.98 60.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -93.87 -44.06 8.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.524 ' CD2' HG12 ' A' ' 20' ' ' VAL . 22.6 m170 -51.98 -50.83 60.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.104 HG13 HD22 ' A' ' 61' ' ' LEU . 78.7 t -51.21 -35.55 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -73.71 -52.89 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.44 -49.41 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -58.5 -37.64 76.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -61.81 -59.11 5.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.696 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -55.44 -25.92 39.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.481 ' CG ' HG21 ' A' ' 18' ' ' VAL . 31.7 t90 -73.39 -58.92 2.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.28 -27.02 32.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.5 mt -73.37 -58.49 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -11.57 60.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.81 -52.15 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -91.14 12.14 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m 51.65 52.17 15.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 ' OD1' ' A' ' 77' ' ' ASN . 26.6 mt -85.76 146.72 26.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -141.32 167.02 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 63.4 28.35 15.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.0 tt -101.94 136.33 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.76 87.25 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 p -61.94 -22.61 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.05 -26.06 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 t80 -67.63 -24.27 65.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -113.22 19.6 16.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -61.84 -30.05 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -136.13 25.72 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.521 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -88.82 100.97 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.52 150.23 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.66 -37.48 6.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -63.28 -43.5 97.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.5 -12.93 60.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.104 HD22 HG13 ' A' ' 32' ' ' VAL . 18.6 tp -88.66 -31.05 18.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 82.4 m -84.38 -13.08 53.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.7 -28.04 16.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.9 mmm -51.93 152.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -119.93 176.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' HA ' HD11 ' A' ' 82' ' ' LEU . 4.7 tptm -51.77 -37.08 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -59.72 3.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.5 -32.68 65.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 78' ' ' THR . 2.9 m-85 -72.33 -34.09 67.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 mt -70.3 -19.44 63.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.5 mtt-85 -84.14 3.02 36.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.41 -39.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -129.49 156.81 43.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.7 t -62.18 159.42 14.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.97 -51.41 57.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -49.56 -54.97 15.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.661 ' H ' HG23 ' A' ' 74' ' ' THR . 92.3 m-20 -63.78 -32.94 74.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 69' ' ' PHE . 94.4 m -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.48 -34.58 47.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.13 -57.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -53.04 -57.65 9.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD12 HG22 ' A' ' 78' ' ' THR . 24.8 mt -52.37 -48.22 65.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 t -59.36 -46.31 88.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -59.8 -55.18 37.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -25.81 64.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.37 -44.46 76.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -73.88 -54.75 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.77 -34.58 40.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -69.47 -36.0 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -104.03 29.35 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.67 -67.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -53.43 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -58.39 121.63 11.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.94 172.62 22.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.04 54.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.96 117.28 16.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.3 p -77.44 75.16 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.1 118.65 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.835 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -99.55 44.84 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.06 22.97 28.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 62.9 174.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.906 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -98.97 27.71 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.86 71.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.73 23.59 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.287 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 155.14 66.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.395 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -80.19 63.14 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.96 128.98 33.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -114.25 111.59 21.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.63 -48.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.52 27.28 12.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -174.82 123.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.9 31.33 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -66.19 153.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.622 HG12 HG13 ' A' ' 20' ' ' VAL . 99.4 t -106.1 144.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mt -113.07 86.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.622 HG13 HG12 ' A' ' 18' ' ' VAL . 29.1 m -123.56 153.14 66.08 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.627 0.727 . . . . 0.0 111.179 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 2.285 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.63 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.11 108.98 1.17 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.635 0.731 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -15.4 37.2 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.71 -22.89 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.7 mt -87.07 -6.9 58.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -57.36 132.62 53.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -80.3 178.93 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -17.39 57.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.36 -38.89 10.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CD2' HG12 ' A' ' 20' ' ' VAL . 25.2 m170 -57.91 -51.92 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.083 HG13 HD22 ' A' ' 61' ' ' LEU . 84.6 t -51.37 -31.62 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -75.54 -56.52 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.03 -44.51 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -58.25 -40.39 81.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.62 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 mt-10 -52.09 -29.53 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -71.6 -61.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.22 -31.35 20.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.8 mt -68.05 -45.8 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.67 -16.44 57.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -43.71 11.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -102.95 10.23 38.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m 51.39 49.83 20.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -76.93 136.5 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.9 mtt -129.89 161.84 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 63.52 37.2 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.53 HD12 ' OG1' ' A' ' 73' ' ' THR . 6.5 tt -111.17 136.03 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.15 97.89 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.7 p -70.41 -24.88 63.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -26.02 67.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.0 t80 -65.5 -25.02 67.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -113.41 23.61 13.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -69.56 -25.12 63.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -138.21 33.2 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.497 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.1 tpp -99.79 99.67 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.57 150.44 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.14 -36.84 4.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -62.32 -47.13 85.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.731 0.301 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -74.33 -11.29 60.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.083 HD22 HG13 ' A' ' 32' ' ' VAL . 65.5 tp -88.02 -28.63 21.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 64.1 m -87.62 -14.67 39.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -90.04 -29.03 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 mmm -52.16 158.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.18 178.43 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.608 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tttm -51.86 -38.4 55.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -60.28 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -54.63 -31.33 57.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.517 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.9 m-85 -79.67 -34.32 40.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -68.9 -17.42 63.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -83.06 2.01 37.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.32 -39.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.53 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -122.15 155.97 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.693 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.0 t -63.07 165.62 6.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.7 tp -57.9 -52.8 64.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -49.45 -51.13 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.693 ' H ' HG23 ' A' ' 74' ' ' THR . 77.7 m-20 -64.0 -36.64 84.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.608 HG21 ' HG3' ' A' ' 66' ' ' LYS . 89.6 m -57.81 -41.69 82.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.81 -37.37 87.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.3 t -68.09 -54.1 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.04 -54.95 40.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.8 mm? -54.92 -45.47 74.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.1 t -62.89 -46.23 88.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -59.99 -56.88 16.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD23 ' CD ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.15 -25.66 61.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -44.21 79.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -75.07 -54.17 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -51.9 -36.51 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.614 ' CD ' HD23 ' A' ' 85' ' ' LEU . 53.8 mtp180 -70.54 -35.34 73.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.16 31.26 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 t -144.76 90.57 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.1 p -146.51 -48.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m -67.84 -40.45 83.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 91.2 169.02 41.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 154.16 68.02 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.729 2.286 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -38.67 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.08 100.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.456 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -96.48 164.78 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -93.3 93.34 8.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.39 155.2 21.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -144.67 135.33 24.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.41 100.33 11.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.44 71.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.545 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 167.74 23.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.386 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.07 22.53 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.674 2.25 . . . . 0.0 112.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -91.91 -36.86 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -93.46 137.16 33.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -117.11 128.23 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 15' ' ' GLU . 2.7 t 179.85 144.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -52.46 -36.16 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 13' ' ' THR . 1.1 tp10 -95.82 -172.27 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.12 67.05 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -163.27 -178.61 6.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.591 HG13 HG22 ' A' ' 20' ' ' VAL . 13.1 p -101.63 150.3 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.8 mt -106.12 63.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.8 m -109.57 154.89 42.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 111.144 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.37 3.73 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.673 2.248 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.75 -76.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.47 141.79 97.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 54.4 Cg_endo -69.67 -30.48 22.63 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 HG22 ' SG ' ' A' ' 62' ' ' CYS . 77.6 p -58.95 -20.0 48.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -88.61 8.85 26.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -87.87 126.67 35.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -78.81 -176.05 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.71 -17.11 60.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -95.77 -43.22 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.719 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.8 m170 -53.82 -52.16 61.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.984 HG13 HD22 ' A' ' 61' ' ' LEU . 77.6 t -50.2 -31.01 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -79.7 -45.56 18.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -61.85 -51.3 68.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 56.9 t90 -54.17 -35.74 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 53' ' ' PHE . 4.6 tp -62.15 -62.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.712 ' HA ' HD12 ' A' ' 40' ' ' ILE . 9.3 mt-10 -54.61 -26.87 35.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -69.77 -63.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.07 -30.47 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.065 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.2 mt -69.95 -48.93 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -18.6 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.84 -54.64 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -89.56 8.3 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.6 m 51.67 58.4 5.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.594 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -88.1 151.96 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 mtt -144.22 166.98 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.47 29.92 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.549 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.9 tt -104.09 136.62 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.03 91.87 6.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.5 p -65.29 -27.2 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -25.1 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -66.3 -22.84 66.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' HD21 ' A' ' 36' ' ' LEU . 25.3 m-85 -115.73 21.38 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -143.3 35.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -101.83 100.08 10.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.47 150.95 25.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.34 -34.06 4.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -44.75 89.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -78.23 -11.26 59.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.984 HD22 HG13 ' A' ' 32' ' ' VAL . 15.8 tp -89.61 -35.33 15.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.3 p -78.1 -16.7 57.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.83 -25.27 22.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.3 mmm -51.93 151.19 3.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 177.64 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -51.44 -36.52 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -59.83 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.5 -27.5 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.6 m-85 -81.57 -36.21 29.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.8 mt -69.37 -18.77 63.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -82.58 1.42 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.19 -39.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.549 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -122.99 156.26 35.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.78 166.3 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HA ' HD21 ' A' ' 70' ' ' LEU . 16.4 tp -58.15 -51.44 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -49.5 -51.21 37.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 93.2 m-20 -66.41 -35.3 79.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.7 m -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.115 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.02 -38.3 57.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.6 t -66.55 -57.91 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -51.86 -54.79 25.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -55.15 -45.7 75.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -43.91 98.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.96 -60.11 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -32.83 64.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -45.2 65.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.08 -55.02 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.61 -29.2 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' HG3' ' HG3' ' A' ' 24' ' ' PRO . 48.7 mtp180 -78.69 -33.21 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -100.04 35.28 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.37 112.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.6 p -120.05 -34.08 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.25 -52.04 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 67.28 168.86 3.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 138.0 36.83 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.32 -178.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.2 t -165.97 96.5 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.59 118.95 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -92.37 -30.47 15.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.49 146.03 15.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -94.17 177.21 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.39 -176.57 5.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.97 75.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 167.81 23.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 101.73 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.76 131.45 43.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.6 p -118.24 112.04 19.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 t -139.02 44.21 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 57.44 26.39 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -169.37 148.93 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -26.28 67.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.32 156.19 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.574 HG13 HG22 ' A' ' 20' ' ' VAL . 14.4 p -70.79 149.74 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mt -105.61 63.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.706 HG12 ' CD2' ' A' ' 31' ' ' HIS . 11.5 m -109.33 154.93 41.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.617 0.722 . . . . 0.0 111.151 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -176.04 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -76.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -65.55 141.82 98.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -26.05 28.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.367 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.571 HG22 ' SG ' ' A' ' 62' ' ' CYS . 78.4 p -61.32 -18.53 59.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 23' ' ' ASP . 5.1 mp -94.82 17.22 14.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -93.22 122.14 35.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -71.86 -178.89 2.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -17.66 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -95.71 -43.61 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.706 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.2 m170 -51.45 -53.22 39.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.982 HG13 HD22 ' A' ' 61' ' ' LEU . 73.0 t -50.19 -30.63 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -79.99 -45.65 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -61.74 -49.91 74.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.416 ' CH2' HD22 ' A' ' 81' ' ' LEU . 57.4 t90 -55.62 -36.59 67.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.17 -62.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.762 ' HA ' HD12 ' A' ' 40' ' ' ILE . 12.6 mt-10 -54.98 -26.49 37.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -69.82 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.1 -28.14 23.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.0 mt -71.61 -47.41 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -18.07 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -88.58 -55.72 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -88.52 7.99 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.97 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.0 m 51.66 65.37 1.51 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.5 mt -95.57 151.52 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.2 mtt -143.54 166.03 25.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.37 31.52 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.5 tt -106.42 136.02 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.54 88.83 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -63.11 -27.3 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -35.87 71.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -54.55 -27.04 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -111.59 25.61 11.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -21.97 66.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.22 29.11 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.529 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.4 tpp -94.21 97.94 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.46 150.91 25.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.15 -35.88 3.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.436 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -47.05 86.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.743 0.306 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.97 -12.26 59.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.982 HD22 HG13 ' A' ' 32' ' ' VAL . 14.8 tp -88.96 -35.88 16.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.571 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -77.7 -16.81 58.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -22.97 22.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -51.93 154.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.19 178.4 5.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -51.55 -44.57 62.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.77 12.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -54.56 -33.14 59.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 82' ' ' LEU . 5.3 m-85 -78.08 -36.21 48.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 75' ' ' LEU . 6.4 mt -69.23 -18.4 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -82.32 1.13 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.64 -39.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.542 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.1 t -121.94 156.19 33.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.64 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.8 t -62.88 166.71 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.612 ' HA ' HD21 ' A' ' 70' ' ' LEU . 20.5 tp -58.5 -51.52 69.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -49.34 -50.88 37.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 74' ' ' THR . 91.0 m-20 -66.7 -35.83 81.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.9 m -57.62 -31.54 66.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.44 -39.1 59.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.3 t -66.31 -57.77 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CH2' ' A' ' 35' ' ' TRP . 74.0 mt -51.65 -54.24 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.57 -45.08 77.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -62.14 -43.66 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -64.28 -59.86 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -32.33 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -43.46 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -73.68 -54.9 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.63 -28.82 23.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -78.08 -33.95 50.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -95.99 32.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.89 -176.68 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 t 60.3 45.42 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -60.32 -32.44 71.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.52 171.59 45.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -38.92 7.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m 57.03 55.49 6.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.36 159.4 22.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.12 -176.98 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.66 153.59 45.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.48 -129.96 9.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.89 -43.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -110.64 -48.11 3.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.56 169.38 15.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.68 23.69 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 114.11 3.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -94.58 -55.16 3.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.0 ptp -67.07 142.67 57.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -101.67 119.07 38.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 118.39 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.02 -57.76 9.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -119.34 148.52 43.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 52.73 81.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -111.7 114.04 26.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 20' ' ' VAL . 99.0 t -71.79 144.22 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.3 mt -115.47 87.1 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 HG12 ' A' ' 18' ' ' VAL . 33.2 m -119.49 152.65 53.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.9 58.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.63 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.71 109.5 1.42 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.719 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -8.6 24.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.485 HG22 ' SG ' ' A' ' 62' ' ' CYS . 9.5 p -82.32 -24.14 34.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -87.62 -1.05 57.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.8 m0 -65.6 129.14 38.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 p -77.83 177.83 7.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -18.0 55.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.46 -39.22 10.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -56.95 -52.83 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.032 HG13 HD22 ' A' ' 61' ' ' LEU . 72.8 t -50.7 -33.52 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -50.8 -47.44 59.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.4 t90 -55.01 -39.6 69.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.38 -62.46 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.753 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.7 mt-10 -53.22 -28.64 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -69.53 -62.09 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.92 17.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 37' ' ' GLU . 26.5 mt -70.14 -48.12 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -17.28 60.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -51.85 5.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -92.94 8.53 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.0 m 51.57 71.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 40.8 mt -104.18 152.59 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtt -144.4 167.92 21.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 63.48 29.31 15.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.493 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.3 tt -101.77 140.65 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -99.8 89.1 3.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.1 p -63.95 -30.22 71.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -27.78 53.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 3.0 t80 -67.46 -24.66 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -113.51 23.53 13.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.91 -32.82 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -132.65 35.08 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.484 ' O ' HG21 ' A' ' 32' ' ' VAL . 3.1 tpp -98.0 100.21 11.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.76 150.69 27.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.69 -34.6 5.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.02 87.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.23 -11.28 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.032 HD22 HG13 ' A' ' 32' ' ' VAL . 25.4 tp -89.25 -33.66 16.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.485 ' SG ' HG22 ' A' ' 25' ' ' THR . 19.3 p -81.23 -15.65 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -89.09 -29.34 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -52.0 150.98 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -120.38 178.28 4.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.0 tptt -51.83 -40.14 60.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -58.12 6.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.93 -30.16 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.526 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -79.55 -34.25 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -68.97 -18.01 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -82.94 1.86 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.4 -39.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.493 ' OG1' HD12 ' A' ' 48' ' ' ILE . 7.0 t -123.17 156.14 35.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.677 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.8 t -62.81 165.14 6.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' HA ' HD21 ' A' ' 70' ' ' LEU . 29.0 tp -57.79 -51.75 68.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -49.46 -51.91 32.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.677 ' H ' HG23 ' A' ' 74' ' ' THR . 87.3 m-20 -65.08 -36.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.522 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.0 m -57.29 -40.63 78.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.36 -38.19 87.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -65.3 -55.62 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.4 mt -56.3 -55.61 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.0 mm? -54.11 -47.44 71.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -61.29 -45.7 93.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.68 -57.86 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -57.59 -32.37 67.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.56 -30.48 20.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -89.19 -50.06 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mp -53.77 -39.82 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.614 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -63.74 -32.39 73.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -105.68 26.78 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.48 -42.98 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.64 -57.54 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.57 157.07 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -163.88 70.93 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 123.49 10.16 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 t -81.08 149.03 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 m -84.68 174.2 10.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.32 90.88 3.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.853 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -108.54 175.73 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.1 111.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t 61.55 38.47 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -143.36 172.98 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.78 178.88 27.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 167.75 23.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 158.77 55.83 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -67.53 -49.87 61.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.24 124.41 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -93.46 141.83 28.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.99 169.2 10.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.92 -45.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -167.77 -48.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -135.0 53.75 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -116.48 142.53 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG12 HG13 ' A' ' 20' ' ' VAL . 99.0 t -81.78 144.17 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.92 87.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 30.6 m -119.97 153.35 55.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 152.88 69.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -66.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -51.59 109.37 1.36 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.4 Cg_endo -69.8 -8.68 24.21 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.482 HG22 ' SG ' ' A' ' 62' ' ' CYS . 10.0 p -82.66 -24.97 33.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.27 -1.16 57.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.6 m0 -65.59 127.86 33.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.9 p -76.07 178.56 6.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -18.29 55.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -94.87 -43.26 8.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 17.6 m170 -51.69 -52.48 47.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.05 HG13 HD22 ' A' ' 61' ' ' LEU . 78.5 t -50.67 -30.91 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -75.71 -55.81 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -52.02 -44.37 64.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.7 t90 -57.93 -40.53 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.466 HD23 HG22 ' A' ' 50' ' ' THR . 3.3 tp -60.8 -61.28 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.65 ' HA ' HD12 ' A' ' 40' ' ' ILE . 14.1 mt-10 -52.31 -29.3 22.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -71.51 -61.67 1.69 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.3 -30.7 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.65 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.0 -48.87 60.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -73.61 -19.01 60.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.74 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -88.31 7.55 31.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.1 m 51.65 67.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD22 ' OD1' ' A' ' 77' ' ' ASN . 45.8 mt -99.33 152.8 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 mtt -144.28 166.83 23.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 63.24 30.64 15.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.7 tt -104.27 136.18 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -95.52 88.62 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.466 HG22 HD23 ' A' ' 36' ' ' LEU . 62.9 p -64.6 -23.86 67.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -25.68 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 15.7 t80 -69.81 -25.24 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -106.93 11.63 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -62.24 -26.83 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -136.61 39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.49 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -108.85 100.26 9.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.68 150.57 27.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.83 -34.01 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.522 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -44.08 87.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.748 0.308 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -77.81 -11.87 59.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.05 HD22 HG13 ' A' ' 32' ' ' VAL . 14.9 tp -88.76 -35.37 16.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' SG ' HG22 ' A' ' 25' ' ' THR . 17.8 p -78.74 -15.59 58.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -90.99 -26.12 19.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.5 mmm -51.85 149.18 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.08 -179.84 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HA ' HD11 ' A' ' 82' ' ' LEU . 3.2 tptm -51.78 -39.12 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.93 -58.88 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -56.63 -24.85 51.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.58 ' HB3' HG23 ' A' ' 78' ' ' THR . 5.1 m-85 -83.41 -33.94 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 75' ' ' LEU . 6.7 mt -69.9 -18.4 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -84.16 3.11 36.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.67 -39.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.4 t -127.4 156.89 41.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.2 t -62.08 158.92 15.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' CA ' HD21 ' A' ' 70' ' ' LEU . 32.6 tp -51.75 -50.04 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -49.81 -55.51 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.69 ' OD1' HD22 ' A' ' 45' ' ' LEU . 97.0 m-20 -64.78 -31.93 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.58 HG23 ' HB3' ' A' ' 69' ' ' PHE . 96.2 m -63.16 -27.08 69.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -81.15 -34.73 32.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.48 -58.35 5.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.7 mt -51.5 -58.0 7.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.545 HD11 ' HA ' ' A' ' 66' ' ' LYS . 17.0 mt -52.53 -47.17 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.6 t -59.48 -46.25 89.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -58.3 -55.76 30.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -59.52 -31.84 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.08 -30.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -87.74 -50.26 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.71 -48.53 72.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.623 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -51.96 -31.35 28.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -102.42 37.82 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.72 -178.55 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.81 28.76 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.56 115.04 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 139.5 168.59 11.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.07 46.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.339 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.5 t -54.01 109.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.9 m -125.06 170.8 10.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -119.42 165.07 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 p -143.57 142.63 31.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.67 95.67 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.12 168.78 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.18 168.4 8.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.69 174.58 17.0 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.72 23.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.39 14.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.383 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.43 -33.67 9.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.497 ' HE2' HG22 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -55.78 140.02 43.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.04 110.31 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -175.63 174.1 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.555 ' HB2' HD11 ' A' ' 19' ' ' ILE . 3.3 m-20 -51.97 148.82 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.93 75.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.34 -46.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.39 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG22 ' HE2' ' A' ' 11' ' ' MET . 17.0 t -62.7 151.56 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 14' ' ' ASN . 28.6 mt -123.44 87.37 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m -133.86 154.75 80.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.653 0.74 . . . . 0.0 111.096 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.77 67.02 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.654 2.236 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.57 -64.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.87 111.72 3.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.573 0.701 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -19.55 36.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.17 -18.58 62.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.7 mt -92.02 -7.82 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -58.13 132.76 54.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -80.57 -179.43 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -17.53 59.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.56 -42.4 8.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 20' ' ' VAL . 21.3 m170 -53.5 -52.19 60.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.001 HG13 HD22 ' A' ' 61' ' ' LEU . 79.0 t -50.92 -34.83 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -73.77 -52.91 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -53.5 -50.52 65.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -56.71 -36.37 69.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.9 tp -62.61 -59.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 40' ' ' ILE . 4.2 mt-10 -55.39 -26.2 40.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.463 ' CG ' HG21 ' A' ' 18' ' ' VAL . 31.9 t90 -71.74 -59.4 2.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.02 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.9 mt -73.06 -59.13 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -12.08 61.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -93.7 -51.08 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.451 ' CD2' HG11 ' A' ' 80' ' ' VAL . 13.5 m-85 -91.35 12.33 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.8 m 51.52 52.34 14.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' OD1' ' A' ' 77' ' ' ASN . 28.6 mt -87.09 149.35 24.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtt -144.32 166.67 24.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 63.33 26.3 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.454 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -98.54 136.3 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -92.81 94.1 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.5 p -70.84 -25.29 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -25.77 68.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -69.2 -24.35 64.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' CD1' HD21 ' A' ' 36' ' ' LEU . 23.2 m-85 -111.61 21.63 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -68.43 -25.91 65.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -137.53 39.15 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.509 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 tpp -106.37 99.12 8.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.36 150.29 26.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.37 -37.01 3.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -49.0 79.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -73.36 -11.03 60.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.001 HD22 HG13 ' A' ' 32' ' ' VAL . 54.7 tp -87.65 -28.16 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.3 m -86.82 -15.72 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -89.61 -29.72 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.7 mmm -52.05 149.81 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.0 178.58 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.579 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.1 tptt -51.61 -37.35 49.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.77 -59.46 3.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -54.95 -28.0 47.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' THR . 2.5 m-85 -83.86 -32.06 25.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.9 mt -69.39 -18.65 63.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.3 mtt-85 -83.14 1.96 37.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.82 -39.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -124.41 156.19 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.666 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.76 165.74 6.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.8 tp -57.8 -52.14 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -49.49 -52.17 31.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.666 ' H ' HG23 ' A' ' 74' ' ' THR . 80.7 m-20 -63.87 -36.77 85.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.579 HG21 ' HG3' ' A' ' 66' ' ' LYS . 94.9 m -58.19 -40.72 82.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.9 -37.77 86.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG11 ' CD2' ' A' ' 43' ' ' TYR . 94.2 t -66.41 -55.09 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.51 -55.21 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.32 -47.82 72.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 t -61.17 -45.7 93.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -61.68 -56.78 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -35.13 72.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 46.8 t -51.86 -30.91 25.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -54.27 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.3 mp -54.3 -27.44 35.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -71.36 -36.84 71.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -97.43 26.77 4.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 t -111.5 59.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -174.97 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.6 m -118.99 150.09 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.55 -168.47 30.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 92.4 p -150.88 58.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.23 112.29 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.88 107.18 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -170.51 -57.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.45 -160.75 33.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -101.2 -59.32 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.31 -40.01 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.66 166.97 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.72 23.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 0.0 112.4 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.19 34.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.336 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -88.75 174.27 8.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.45 ' HE1' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -78.57 127.55 32.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -86.65 110.4 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.8 t -116.92 -25.04 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 63.22 26.16 15.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' H ' HG23 ' A' ' 13' ' ' THR . 3.2 mt-10 -162.23 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.29 -42.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.71 151.68 46.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG22 HG13 ' A' ' 20' ' ' VAL . 14.5 p -57.23 149.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.2 mt -108.74 63.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m -110.12 154.61 42.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.73 68.56 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -67.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' HB2' HD12 ' A' ' 26' ' ' LEU . 23.5 m-20 -50.68 108.79 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.575 0.703 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 23' ' ' ASP . 53.3 Cg_endo -69.8 -16.0 37.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.63 -23.03 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD12 ' HB2' ' A' ' 23' ' ' ASP . 81.6 mt -85.74 -6.89 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -57.83 134.01 55.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.1 p -81.87 179.51 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -17.6 58.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -95.42 -39.68 9.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.4 m170 -57.36 -51.25 70.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.054 HG13 HD22 ' A' ' 61' ' ' LEU . 86.9 t -51.22 -31.26 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.62 -55.63 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -52.02 -45.15 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -58.19 -38.84 77.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.46 -60.69 3.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 40' ' ' ILE . 10.1 mt-10 -53.94 -27.39 30.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -72.05 -62.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.96 19.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.637 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.0 mt -69.61 -48.28 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -19.37 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -55.45 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.7 m-85 -88.46 7.87 30.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.2 m 51.75 57.32 6.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' OD1' ' A' ' 77' ' ' ASN . 36.5 mt -86.62 152.27 22.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 mtt -143.89 166.28 25.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.35 30.72 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.4 tt -105.37 136.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -94.45 94.96 8.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.2 p -68.46 -24.04 64.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -26.22 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -66.19 -25.53 66.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -112.78 23.7 13.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -68.21 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.15 34.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -101.23 100.38 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.56 150.44 27.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.38 -37.01 6.07 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -63.04 -43.92 97.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -77.16 -11.76 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.054 HD22 HG13 ' A' ' 32' ' ' VAL . 61.7 tp -87.81 -27.59 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.4 m -88.84 -13.3 39.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 -26.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.1 mmm -52.96 160.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -127.62 177.79 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.586 ' HG3' HG21 ' A' ' 78' ' ' THR . 1.2 tptt -51.97 -41.75 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.91 -59.59 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.24 -34.87 58.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.502 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.3 m-85 -77.04 -32.41 56.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.7 mt -69.56 -19.21 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt-85 -83.06 1.88 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -131.83 -39.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.2 t -123.95 156.23 36.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.2 t -62.7 165.9 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.578 ' HA ' HD21 ' A' ' 70' ' ' LEU . 18.6 tp -57.82 -51.49 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -49.61 -51.27 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.651 ' H ' HG23 ' A' ' 74' ' ' THR . 94.0 m-20 -66.33 -34.85 78.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.586 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.4 m -59.26 -31.03 68.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.51 -37.45 56.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 43' ' ' TYR . 93.7 t -67.94 -55.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.64 -55.11 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.34 -45.75 72.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -62.14 -45.53 93.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.6 -57.84 10.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.21 -34.48 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -35.15 46.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -81.9 -55.3 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.08 -31.57 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.568 ' HD2' HD23 ' A' ' 85' ' ' LEU . 61.6 mtp180 -73.37 -35.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -96.06 36.62 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.72 -173.66 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t 59.39 83.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.5 t 55.98 85.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.1 -167.66 12.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -175.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.66 147.98 28.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.0 m -109.99 46.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -149.62 31.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.84 137.17 34.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.36 54.42 6.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -67.69 -34.03 76.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t 61.06 31.28 19.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.63 170.75 32.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -34.66 14.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -178.29 -42.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.81 118.07 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.04 116.1 32.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 t -172.09 171.82 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.99 -173.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.06 177.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 60.1 26.83 16.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -73.54 166.83 22.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG12 HG13 ' A' ' 20' ' ' VAL . 99.1 t -113.68 144.25 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mt -115.85 87.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.688 HG13 HG12 ' A' ' 18' ' ' VAL . 34.7 m -118.81 152.89 52.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 153.59 68.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.74 -67.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.55 109.31 1.33 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.629 0.728 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.67 24.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.494 HG22 ' SG ' ' A' ' 62' ' ' CYS . 12.8 p -82.29 -24.29 34.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.9 mt -87.13 -1.36 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -65.19 126.58 28.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -74.54 177.46 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -18.88 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -93.93 -43.27 8.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 20' ' ' VAL . 15.5 m170 -51.64 -51.88 52.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.986 HG13 HD22 ' A' ' 61' ' ' LEU . 69.2 t -51.21 -30.01 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -77.38 -52.72 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -53.37 -47.83 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.444 ' CH2' HD22 ' A' ' 81' ' ' LEU . 53.3 t90 -56.28 -39.88 73.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 53' ' ' PHE . 3.2 tp -60.32 -61.49 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' ILE . 24.9 mt-10 -53.93 -27.37 30.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -72.61 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.41 -30.56 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -69.97 -48.09 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -19.04 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.78 -55.29 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.9 m-85 -88.55 7.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t 51.92 57.15 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 37.0 mt -86.68 151.49 23.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.1 mtt -144.43 165.21 28.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 63.32 32.02 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' OG1' ' A' ' 73' ' ' THR . 7.4 tt -106.87 135.87 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -94.01 86.47 5.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -62.26 -26.03 68.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.61 -35.26 72.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -55.37 -26.16 39.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' CD1' HD21 ' A' ' 36' ' ' LEU . 21.9 m-85 -112.48 24.32 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -23.5 67.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -143.91 25.97 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.6 tpp -88.39 101.42 13.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.44 150.87 25.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.35 -35.64 3.92 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -46.39 85.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -75.63 -10.86 59.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.986 HD22 HG13 ' A' ' 32' ' ' VAL . 20.1 tp -90.4 -33.01 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.494 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -83.05 -13.9 54.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.81 -32.31 17.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.29 145.62 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.407 ' ND2' ' H ' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -115.73 -177.15 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.561 ' HG3' HG21 ' A' ' 78' ' ' THR . 3.6 tptm -51.06 -44.78 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.09 -62.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.407 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 23.0 m-20 -51.76 -37.65 52.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 82' ' ' LEU . 4.4 m-85 -71.91 -33.18 68.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.0 mt -69.53 -18.76 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -83.15 1.99 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.52 -39.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' PHE . 6.3 t -123.91 156.42 36.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.1 t -62.69 165.47 6.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 24.2 tp -57.33 -51.18 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -49.46 -52.21 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.643 ' H ' HG23 ' A' ' 74' ' ' THR . 92.7 m-20 -65.79 -34.97 79.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.561 HG21 ' HG3' ' A' ' 66' ' ' LYS . 97.7 m -59.19 -31.18 68.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -75.91 -37.54 58.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' CD2' ' A' ' 43' ' ' TYR . 83.1 t -67.17 -56.66 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 HD22 ' CH2' ' A' ' 35' ' ' TRP . 78.1 mt -53.42 -54.9 30.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.67 -45.95 73.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 t -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -64.46 -58.38 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -57.37 -34.68 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -51.62 -30.17 20.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -88.89 -50.31 6.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.61 -47.51 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.525 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -53.08 -31.11 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -88.83 -23.37 22.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.4 p -93.68 118.21 31.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 97.6 p -126.17 -47.56 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t 52.32 30.89 8.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.31 -75.42 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.449 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 163.14 39.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.7 t -70.63 -38.26 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.05 179.69 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m 60.86 96.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 58.58 91.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.83 113.43 0.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -66.37 141.73 57.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 130.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.2 75.74 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 81.41 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -74.55 96.6 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.21 137.55 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.8 m -112.78 114.38 26.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -173.07 171.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -55.06 -63.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -162.51 158.06 23.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 58.01 89.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.84 23.73 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG12 HG13 ' A' ' 20' ' ' VAL . 22.1 t 64.88 150.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mt -126.91 87.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.635 HG12 ' CD2' ' A' ' 31' ' ' HIS . 35.9 m -118.38 153.05 51.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 0.0 111.11 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.65 59.57 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.76 -67.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 123.46 61.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.83 15.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.4 p -61.85 -17.39 56.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -90.2 3.5 53.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -77.5 132.42 38.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.2 p -80.57 -179.46 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -17.58 57.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -95.47 -43.25 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.635 ' CD2' HG12 ' A' ' 20' ' ' VAL . 13.2 m170 -51.89 -51.5 56.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 HD22 ' A' ' 61' ' ' LEU . 75.0 t -51.1 -29.88 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 -78.24 -54.88 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -53.49 -45.95 69.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.1 t90 -56.68 -39.47 73.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 tp -61.71 -60.73 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.659 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.5 mt-10 -51.97 -29.58 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.455 ' HB2' HG21 ' A' ' 18' ' ' VAL . 34.8 t90 -70.43 -62.22 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.33 -30.25 17.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.4 mt -70.45 -47.8 63.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -18.33 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.59 -51.0 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' CD2' HG11 ' A' ' 80' ' ' VAL . 11.2 m-85 -91.63 9.42 32.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m 51.66 47.72 24.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.574 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.4 mt -78.4 151.14 32.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.6 mtt -144.34 166.97 23.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 63.42 30.8 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.531 HD12 ' OG1' ' A' ' 73' ' ' THR . 3.6 tt -101.67 151.29 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -109.01 90.12 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.8 p -67.06 -26.99 67.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -25.26 68.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.804 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.453 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.9 t80 -66.35 -24.87 66.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -113.86 20.46 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.52 -30.7 70.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -135.68 43.78 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.7 tpp -109.41 103.1 11.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 150.75 26.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.88 -34.95 4.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -45.92 83.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.745 0.307 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -74.65 -11.23 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.922 HD22 HG13 ' A' ' 32' ' ' VAL . 27.2 tp -89.39 -36.72 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 25' ' ' THR . 18.0 p -78.39 -17.14 56.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -87.26 -28.12 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -53.94 139.19 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -106.31 173.51 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.63 ' HG3' HG21 ' A' ' 78' ' ' THR . 5.0 tttm -51.94 -31.63 29.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -72.32 -52.96 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -62.13 -25.97 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.7 m-85 -81.25 -32.41 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.8 mt -69.28 -18.17 63.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.0 1.91 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.21 -39.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.531 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.61 156.15 36.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.98 165.73 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 70' ' ' LEU . 23.7 tp -58.06 -52.86 63.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.2 -50.95 35.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.692 ' H ' HG23 ' A' ' 74' ' ' THR . 77.6 m-20 -64.21 -36.96 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.63 HG21 ' HG3' ' A' ' 66' ' ' LYS . 90.6 m -57.09 -43.19 81.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.13 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 43' ' ' TYR . 97.9 t -66.7 -54.64 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.1 mt -57.48 -54.93 41.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.87 -45.81 74.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.8 t -62.72 -45.91 90.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -62.33 -56.83 14.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.555 HD23 ' HD2' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.82 -32.7 69.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -30.93 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -87.73 -51.96 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.8 mp -52.35 -41.32 62.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.555 ' HD2' HD23 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -59.55 -35.04 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -98.05 38.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.7 t -132.32 147.62 52.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 m 54.63 27.43 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.831 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.8 t -68.84 -31.92 71.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 94.37 72.07 1.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 170.62 16.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 141.03 19.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.6 t -170.35 -50.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.463 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 57.54 63.11 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.3 157.06 26.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.95 -148.73 11.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -99.48 -29.14 12.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 m -119.86 -49.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.35 176.63 29.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.456 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 167.75 23.51 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.663 2.242 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -178.06 2.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -152.66 32.0 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.545 ' CE ' HG22 ' A' ' 18' ' ' VAL . 12.8 ttt -80.59 117.29 21.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.84 112.43 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 17' ' ' ARG . 1.2 m -159.01 149.19 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -30.47 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -127.59 175.47 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -81.63 63.56 5.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' O ' HG21 ' A' ' 13' ' ' THR . 0.4 OUTLIER -169.65 -172.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG22 ' CE ' ' A' ' 11' ' ' MET . 19.3 t -119.09 148.5 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -121.75 86.83 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.5 m -134.88 155.1 79.56 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 0.0 111.147 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.81 11.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.54 140.34 94.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.7 19.99 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.636 HG22 ' SG ' ' A' ' 62' ' ' CYS . 28.1 p -58.99 -20.31 51.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.23 5.81 32.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 52.4 m0 -85.25 123.41 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 p -74.96 -177.13 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.65 -16.97 59.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 -42.69 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.68 ' CD2' HG12 ' A' ' 20' ' ' VAL . 11.0 m170 -53.95 -51.04 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG21 ' O ' ' A' ' 56' ' ' MET . 92.9 t -51.0 -30.81 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.41 -42.01 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.06 -54.44 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.407 ' CH2' HD22 ' A' ' 81' ' ' LEU . 63.9 t90 -53.18 -31.87 45.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.3 tp -65.04 -62.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.778 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -52.53 -28.94 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' CG ' HG21 ' A' ' 18' ' ' VAL . 30.0 t90 -68.98 -59.6 2.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -26.16 35.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 37' ' ' GLU . 29.3 mt -73.66 -53.32 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -4.02 43.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -98.25 -55.56 2.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -92.48 14.69 15.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m 51.53 71.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD22 ' OD1' ' A' ' 77' ' ' ASN . 33.1 mt -105.13 145.2 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 mtt -139.92 166.33 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.49 27.41 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.551 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.2 tt -99.28 136.64 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.1 94.93 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 p -66.84 -24.31 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -34.38 77.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 t80 -57.41 -23.92 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD1' HD21 ' A' ' 36' ' ' LEU . 14.4 m-85 -115.87 22.69 12.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -65.04 -25.28 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -142.72 29.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.561 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.8 ttp -94.75 99.96 11.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.64 149.91 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.94 -34.66 4.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -66.26 -47.14 74.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -74.36 -12.19 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD22 ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -90.49 -50.84 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.636 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.7 p -62.94 -19.52 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -86.76 -25.05 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.5 mmm -52.18 149.04 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.96 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -51.91 -47.25 64.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -58.68 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.05 -41.03 67.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' CD2' HD21 ' A' ' 82' ' ' LEU . 1.1 m-85 -65.65 -37.99 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 75' ' ' LEU . 10.4 mt -69.32 -17.91 63.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -83.94 3.02 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.35 -39.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.551 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.5 t -124.85 156.36 37.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.66 165.78 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.1 tp -58.22 -53.42 58.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -48.94 -50.3 36.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.697 ' H ' HG23 ' A' ' 74' ' ' THR . 77.5 m-20 -64.21 -37.49 87.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 69' ' ' PHE . 63.5 m -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.34 -38.7 90.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.84 -54.45 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 ' CH2' ' A' ' 35' ' ' TRP . 37.6 mt -58.58 -53.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 69' ' ' PHE . 4.1 mm? -55.66 -44.54 77.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.0 t -63.86 -45.65 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -62.06 -56.27 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -30.36 70.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -35.54 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -82.31 -55.47 4.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.9 mp -52.22 -29.79 24.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mtp85 -75.01 -35.28 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -95.76 25.05 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.64 -176.24 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 t 63.17 36.74 11.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.6 m -95.81 75.75 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -95.65 -171.06 35.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 163.92 36.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.7 t -153.66 72.62 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 m -102.12 152.17 21.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -61.54 160.8 10.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.799 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t 55.82 56.3 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.56 -43.32 85.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 m 57.95 55.9 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -79.53 157.53 27.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.34 69.75 1.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 167.76 23.58 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 147.95 64.24 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -89.01 140.21 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ttt -90.56 111.31 22.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -87.63 140.29 29.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.095 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.45 HG21 ' H ' ' A' ' 17' ' ' ARG . 13.8 t -175.57 175.57 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -77.52 60.08 2.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 60.17 99.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 51.94 88.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' H ' HG21 ' A' ' 13' ' ' THR . 2.2 ttt180 -178.17 147.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 20' ' ' VAL . 14.4 p -137.8 149.64 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -108.92 63.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 31' ' ' HIS . 12.2 m -110.63 154.51 43.12 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.634 0.731 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 153.15 69.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.365 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -69.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.27 109.12 1.23 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.706 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -18.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.06 -19.6 60.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.6 mt -91.08 -6.52 53.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -58.06 134.57 56.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 p -81.0 178.49 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.38 -18.12 57.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -95.59 -43.08 8.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 20' ' ' VAL . 24.0 m170 -51.56 -52.53 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.102 HG13 HD22 ' A' ' 61' ' ' LEU . 89.5 t -50.88 -30.21 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -76.66 -54.85 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -53.18 -46.08 68.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 52.6 t90 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.73 -61.34 2.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' ILE . 5.7 mt-10 -52.76 -29.03 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -70.91 -61.81 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.54 -30.11 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 37' ' ' GLU . 23.8 mt -70.8 -52.46 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -16.0 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -89.6 -52.71 4.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.447 ' CD2' HG11 ' A' ' 80' ' ' VAL . 12.5 m-85 -89.98 10.03 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m 51.6 54.01 11.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD22 ' OD1' ' A' ' 77' ' ' ASN . 34.9 mt -86.23 151.0 23.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 mtt -143.94 167.89 21.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 63.32 28.41 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.9 tt -102.86 137.29 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -97.1 87.56 4.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.6 p -62.35 -27.43 69.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.151 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -25.81 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 6.3 t80 -67.49 -24.77 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -112.28 21.61 15.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -67.01 -27.5 67.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -135.84 42.78 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.492 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.3 tpp -110.23 101.86 10.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.66 150.21 28.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.55 -36.09 4.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -46.74 84.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.726 0.298 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -73.82 -11.15 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.102 HD22 HG13 ' A' ' 32' ' ' VAL . 61.8 tp -88.51 -29.7 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 68.8 m -84.61 -15.73 44.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -89.69 -28.63 19.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.0 mmm -51.88 150.27 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.6 179.55 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.6 tptt -52.12 -39.73 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.06 -59.28 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -54.71 -28.12 45.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 82' ' ' LEU . 3.7 m-85 -83.35 -33.9 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.3 mt -69.25 -18.26 63.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -82.71 1.53 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -132.8 -39.32 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.519 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.6 t -123.43 156.25 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 77' ' ' ASN . 10.2 t -62.9 165.58 6.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.583 ' HA ' HD21 ' A' ' 70' ' ' LEU . 21.0 tp -57.73 -52.17 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -49.48 -51.99 32.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.676 ' H ' HG23 ' A' ' 74' ' ' THR . 87.9 m-20 -63.91 -36.16 83.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.413 HG21 ' HG3' ' A' ' 66' ' ' LYS . 84.8 m -58.64 -40.21 82.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.34 -36.73 83.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 43' ' ' TYR . 90.7 t -68.92 -53.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.0 mt -57.4 -54.68 44.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.9 -45.12 74.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.2 t -63.47 -46.29 86.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -60.6 -56.29 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD23 ' CD ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -58.88 -34.35 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.11 -32.3 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -85.08 -54.43 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.75 -28.04 32.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.42 ' CD ' HD23 ' A' ' 85' ' ' LEU . 20.0 mtp85 -73.66 -33.1 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.87 36.34 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -137.44 153.1 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m 57.53 42.53 24.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 p -83.84 -170.16 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.53 176.48 19.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 150.96 69.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 54.32 76.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 p -104.49 52.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -102.73 61.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -132.34 131.33 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.48 156.84 33.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -168.39 92.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -91.88 129.8 37.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.19 168.13 5.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.77 23.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.248 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 96.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -81.88 168.99 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.555 ' CE ' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -82.01 117.82 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.21 114.24 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 t -144.14 -42.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -177.48 -47.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -136.2 33.54 2.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 56.27 63.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -135.34 -175.31 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.555 HG22 ' CE ' ' A' ' 11' ' ' MET . 19.0 t -117.17 148.0 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mt -120.73 86.68 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.696 HG12 ' CD2' ' A' ' 31' ' ' HIS . 6.3 m -135.53 154.97 78.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 175.62 7.85 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -76.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 141.77 97.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.622 0.725 . . . . 0.0 110.842 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.62 24.81 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.547 HG22 ' SG ' ' A' ' 62' ' ' CYS . 81.7 p -59.83 -19.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 mt -91.09 12.65 19.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -90.68 123.99 34.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -75.72 -178.17 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.84 -17.6 56.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.3 -43.87 7.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.696 ' CD2' HG12 ' A' ' 20' ' ' VAL . 10.7 m170 -51.92 -51.8 54.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 56' ' ' MET . 97.6 t -50.92 -32.3 11.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -76.83 -40.78 46.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -67.12 -53.38 31.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -54.25 -31.79 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD21 ' CD1' ' A' ' 53' ' ' PHE . 5.0 tp -65.15 -62.36 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.5 mt-10 -54.3 -27.43 35.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.535 ' CG ' HG21 ' A' ' 18' ' ' VAL . 36.3 t90 -70.2 -62.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.18 -30.19 16.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 37' ' ' GLU . 27.8 mt -69.55 -46.47 75.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -77.05 -18.4 58.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.94 -45.51 10.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CD2' HG11 ' A' ' 80' ' ' VAL . 39.9 m-85 -99.37 10.19 41.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 m 51.46 44.48 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.53 HD22 ' OD1' ' A' ' 77' ' ' ASN . 43.1 mt -72.07 143.52 49.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.8 mtt -137.27 161.86 35.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 63.41 35.78 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.471 HD12 ' OG1' ' A' ' 73' ' ' THR . 5.5 tt -106.54 136.38 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.85 99.25 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.8 p -72.44 -23.58 61.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -29.86 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 2.4 t80 -62.02 -24.0 66.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.4 m-85 -115.66 23.25 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -65.39 -25.1 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -145.14 30.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.0 tpp -95.04 99.85 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.42 150.28 26.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -44.05 -35.27 3.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -48.97 70.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -87.99 -51.96 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 25' ' ' THR . 14.9 p -62.0 -22.32 65.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.58 1.49 48.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.8 mmm -74.18 161.42 29.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -128.85 176.31 7.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -51.73 -42.44 62.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -57.05 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.16 -34.13 59.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.1 m-85 -75.59 -36.81 60.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.577 HD21 ' HA ' ' A' ' 75' ' ' LEU . 8.4 mt -69.55 -17.8 63.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -83.6 2.74 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.501 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -134.43 -39.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.471 ' OG1' HD12 ' A' ' 48' ' ' ILE . 5.8 t -123.74 156.39 36.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.595 HG23 ' H ' ' A' ' 77' ' ' ASN . 8.9 t -62.78 165.5 6.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 70' ' ' LEU . 47.9 tp -58.51 -49.36 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -49.14 -51.92 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 74' ' ' THR . 68.2 m-20 -67.96 -35.52 78.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 82' ' ' LEU . 97.8 m -56.18 -32.97 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.57 -41.78 59.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 43' ' ' TYR . 85.8 t -62.52 -58.42 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.4 mt -51.72 -53.99 33.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -55.27 -44.6 75.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.5 m -62.86 -44.93 94.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -62.48 -58.26 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.99 70.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -33.47 43.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -84.87 -55.59 4.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.49 -32.35 27.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -72.91 -36.86 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -99.73 29.2 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -127.03 30.31 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.35 -63.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.54 -172.82 4.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.03 176.76 24.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 130.65 19.81 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 t -123.39 -61.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 p -78.59 151.47 32.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.79 -173.77 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.82 -176.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.74 169.27 31.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.445 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.12 -36.12 9.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.835 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.54 97.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.76 169.45 27.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.74 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.78 41.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.728 2.285 . . . . 0.0 112.393 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.39 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.9 mtp -65.77 156.88 31.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.5 p -91.92 111.28 22.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.8 t -161.26 158.01 26.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -97.32 32.12 2.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.78 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.29 -43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.9 167.6 13.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 20' ' ' VAL . 9.6 p -84.02 151.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.63 63.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.593 HG22 HG13 ' A' ' 18' ' ' VAL . 11.1 m -110.26 154.69 42.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.48 69.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.34 -67.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.67 108.77 1.1 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.597 0.713 . . . . 0.0 110.809 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -17.2 37.77 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -21.84 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.2 mt -88.26 -8.13 55.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -58.13 131.37 50.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.1 p -80.81 179.73 7.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -17.56 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.52 -39.86 9.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CD2' HG12 ' A' ' 20' ' ' VAL . 30.0 m170 -57.25 -51.88 67.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.016 HG13 HD22 ' A' ' 61' ' ' LEU . 82.5 t -50.87 -30.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -77.7 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.13 -45.49 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -56.75 -39.47 74.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.34 -61.2 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 40' ' ' ILE . 7.6 mt-10 -52.13 -29.51 22.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 41.9 t90 -70.27 -62.41 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.03 -31.23 17.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 37' ' ' GLU . 24.6 mt -69.35 -49.51 59.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.34 -53.48 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.1 m-85 -89.54 9.47 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m 51.57 45.52 27.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD22 ' OD1' ' A' ' 77' ' ' ASN . 51.7 mt -75.0 151.62 38.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 mtt -144.23 166.33 25.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 63.39 31.33 15.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' OG1' ' A' ' 73' ' ' THR . 4.6 tt -103.44 142.25 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.54 93.42 5.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.2 p -68.31 -25.84 65.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.85 -26.16 68.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' CG ' ' HB2' ' A' ' 72' ' ' ALA . 4.5 t80 -66.98 -25.66 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -112.21 23.63 13.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -68.74 -25.59 64.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -138.9 39.21 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.5 ' O ' HG21 ' A' ' 32' ' ' VAL . 1.7 tpp -106.53 100.16 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.5 150.39 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.88 5.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -47.3 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.86 -11.06 60.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.016 HD22 HG13 ' A' ' 32' ' ' VAL . 65.8 tp -87.99 -29.31 20.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 54.4 m -85.21 -16.51 40.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -88.71 -25.31 22.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 mmm -56.33 148.47 18.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -118.24 178.94 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' HG21 ' A' ' 78' ' ' THR . 2.2 tptt -51.86 -38.75 57.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.62 -59.99 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.38 -27.43 36.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.518 ' CD2' HD21 ' A' ' 82' ' ' LEU . 2.9 m-85 -84.0 -34.68 24.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 75' ' ' LEU . 7.6 mt -69.09 -18.07 63.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -82.81 1.67 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 52' ' ' PHE . . . -133.11 -39.4 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' HD12 ' A' ' 48' ' ' ILE . 6.7 t -123.15 156.09 35.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 77' ' ' ASN . 9.9 t -62.98 165.4 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.582 ' HA ' HD21 ' A' ' 70' ' ' LEU . 13.1 tp -58.11 -52.76 64.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -49.37 -50.3 40.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.701 ' H ' HG23 ' A' ' 74' ' ' THR . 75.5 m-20 -64.47 -36.94 85.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.458 HG21 ' HG3' ' A' ' 66' ' ' LYS . 62.1 m -56.48 -44.26 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.41 -38.14 88.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 43' ' ' TYR . 86.6 t -66.28 -53.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.1 mt -58.99 -55.1 39.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 69' ' ' PHE . 3.9 mm? -54.22 -46.3 72.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -63.28 -46.62 85.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' ND1' HD11 ' A' ' 88' ' ' LEU . 26.3 t-80 -59.86 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.807 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -57.46 -30.4 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.51 -33.2 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -83.19 -47.01 12.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.807 HD12 ' HA ' ' A' ' 85' ' ' LEU . 5.0 mt -57.41 -46.85 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -58.15 -29.97 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -105.36 42.48 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 -176.37 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.73 27.33 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t 59.96 76.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.16 178.48 25.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -178.13 2.19 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 p -135.98 77.29 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.97 129.05 4.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.491 -179.96 . . . . . . . . 0 0 . 1 stop_ save_