data_1x44_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 1x44 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' GLY . 98.2 mt -109.12 141.83 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -119.88 132.2 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.07 99.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 p -63.94 -45.85 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -109.65 113.73 26.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.07 145.53 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 30.9 mt -54.28 152.08 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -122.91 139.55 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.19 130.18 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.6 m -123.76 131.87 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 m -117.55 105.01 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.79 168.86 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -94.44 176.21 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.83 128.92 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.57 -14.14 31.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.52 168.33 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' NE ' HG13 ' A' ' 67' ' ' ILE . 32.8 ttt180 -99.97 119.76 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.44 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.58 117.2 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -107.36 109.69 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.96 150.95 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.97 165.48 27.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -130.79 150.74 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.6 m -125.02 -177.23 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -84.86 -35.93 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.72 164.5 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -99.35 163.09 12.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . 25.0 t70 34.49 39.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.62 177.3 7.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -129.77 87.11 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.3 m -77.55 160.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 44.2 mttt -114.68 112.42 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.409 ' CE3' ' CD2' ' A' ' 66' ' ' LEU . 69.7 m95 -87.68 127.64 35.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.8 m-85 -123.52 135.16 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.58 102.38 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 63.78 30.98 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.11 29.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -77.15 147.99 36.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 23.6 tt0 -87.4 128.41 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' ILE . 76.5 mt -83.99 142.22 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -133.08 89.61 33.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -165.21 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.27 139.18 32.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.9 mtp180 -130.78 106.65 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 mt -84.11 121.61 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -116.04 139.31 50.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.16 122.32 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -128.43 100.98 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -106.03 1.03 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -117.96 24.3 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -137.53 139.79 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.6 m-70 -108.01 156.57 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -140.11 108.0 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 22.9 tp -94.63 101.15 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.27 147.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 42.0 mt -126.08 113.73 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.85 108.76 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.85 86.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.37 96.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.36 174.82 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -54.62 -14.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.93 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.9 -31.11 64.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.94 94.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.75 171.6 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.29 100.36 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.64 115.85 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -121.39 135.46 55.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.1 155.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 ttm -138.28 123.3 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -112.57 -174.95 2.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -63.15 -21.79 66.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -158.44 42.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.71 161.86 35.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -154.71 147.71 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -143.42 162.29 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.01 148.79 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 14' ' ' LEU . . . -146.14 167.42 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -119.63 119.98 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.6 tp -109.4 109.37 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -102.55 125.88 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -100.4 130.64 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.458 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 90.9 mt -111.92 125.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.1 mmt -104.23 136.2 44.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.64 100.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -65.91 -41.19 91.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 72.2 tttt -116.22 96.66 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -63.15 160.8 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.59 151.9 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -120.72 141.5 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.01 142.07 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 18' ' ' THR . 88.8 m -139.52 141.03 37.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.433 ' N ' HG21 ' A' ' 17' ' ' THR . 91.6 m -122.85 107.31 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -115.51 164.07 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -66.5 105.62 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.71 -10.26 32.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.79 166.84 21.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' NE ' HG13 ' A' ' 67' ' ' ILE . 15.5 ttt180 -96.56 118.28 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.75 138.0 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.15 116.19 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.25 109.55 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -98.05 150.04 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 p -162.32 165.05 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 21.8 mt-10 -132.66 155.82 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.8 m -128.18 -177.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -79.5 -42.03 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.39 -176.16 5.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 25.1 p30 -115.46 153.2 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 34.78 41.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.87 174.32 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -114.3 93.22 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -87.52 154.04 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -112.0 114.47 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -88.1 138.81 31.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 44.7 m-85 -133.34 137.13 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 16.9 tttt -102.56 98.2 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 68.79 31.35 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.89 -27.09 22.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.51 148.55 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 28.1 tt0 -84.8 136.08 33.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.2 mt -95.44 145.72 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' N ' HD11 ' A' ' 48' ' ' ILE . 5.2 mp -133.51 93.54 21.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 8.7 mpt_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.346 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -86.23 136.06 33.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -130.38 109.59 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.97 139.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.73 138.52 45.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.01 122.01 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -132.71 103.51 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.77 -113.66 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -115.17 23.56 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -138.51 136.99 36.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -101.25 159.66 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.46 107.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.3 tp -94.27 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.89 133.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -113.06 110.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.77 113.4 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.2 81.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.88 92.34 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 p -74.71 172.12 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -57.83 -37.29 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.23 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 77' ' ' ALA . 11.4 m-20 -51.11 -38.94 54.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.26 92.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -147.52 171.71 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -78.73 100.66 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 60.0 m-85 -86.69 112.79 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.2 m -121.1 141.3 50.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.81 162.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -141.96 127.15 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.3 p -118.78 -175.59 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.9 p -61.31 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.98 38.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.98 159.6 31.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -154.9 145.43 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -144.78 151.04 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -138.83 145.27 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.32 171.23 14.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -120.08 127.84 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.43 123.59 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -115.52 111.8 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.1 t -93.79 117.62 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 91.7 mt -116.9 127.67 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mmt -104.76 139.81 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.48 100.95 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -65.62 -48.63 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -107.33 94.51 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -64.8 155.77 32.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 22.9 mt -63.51 146.8 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.4 139.05 51.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.8 135.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -129.49 141.24 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 m -122.57 106.83 11.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.03 178.13 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -105.66 161.2 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.45 107.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.56 -22.2 31.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.13 167.9 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 26' ' ' GLU . 23.6 ttt180 -98.29 120.69 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -96.06 135.86 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 26.8 mt-10 -131.69 108.5 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.11 112.74 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 5.6 tt0 -100.77 146.68 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 p -158.08 156.43 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -121.56 154.25 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 4.5 m -126.38 -179.76 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.7 t -87.44 -2.07 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -128.36 170.39 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' ASP . 7.2 p-10 -108.63 161.66 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 73.7 m-20 35.52 40.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.87 175.91 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -126.54 88.69 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 64' ' ' HIS . 2.5 m -80.85 160.06 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.9 mmtt -117.04 115.02 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.518 ' CE3' HG12 ' A' ' 81' ' ' VAL . 60.3 m95 -90.65 132.07 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 57.0 m-85 -125.95 135.63 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.1 tttp -101.31 99.57 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 63.78 30.58 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -20.18 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.31 144.84 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.65 127.36 33.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.84 132.06 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.6 mm -118.38 90.97 40.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.53 5.52 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -83.67 139.83 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 9.5 mtp85 -135.86 105.25 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 40' ' ' TRP . 51.7 mt -86.6 109.9 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -107.32 139.07 42.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.99 121.74 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -124.36 110.95 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.93 -106.18 1.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -119.97 20.17 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 8.0 ptpp? -133.73 142.91 48.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.469 ' CD2' HG11 ' A' ' 38' ' ' VAL . 24.1 m-70 -108.17 151.12 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.06 122.17 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 HD23 ' CE3' ' A' ' 40' ' ' TRP . 30.9 tp -105.7 101.06 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -89.84 146.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 20.8 mt -132.25 104.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.21 105.91 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.59 87.04 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.15 92.26 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.075 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -84.23 177.98 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -55.03 -34.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.18 68.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -59.22 -28.64 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.83 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.81 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.76 103.85 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 85.2 m-85 -89.91 111.47 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -115.88 137.85 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG12 ' CE3' ' A' ' 40' ' ' TRP . 3.0 m -102.39 160.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.4 ttp -142.49 113.1 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.0 p -101.82 -176.18 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.2 p -60.63 -24.38 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -156.54 44.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.72 163.42 36.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -154.7 146.73 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -140.68 162.81 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -147.84 142.13 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 14' ' ' LEU . . . -141.29 160.58 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -114.5 118.92 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.3 tp -108.93 119.84 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -111.28 138.39 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.8 t -114.64 131.06 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 86.3 mt -115.04 119.92 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.12 141.92 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.04 99.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 p -64.37 -49.29 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -101.31 102.86 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -75.46 156.55 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 20.1 mt -67.69 152.52 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -122.85 141.34 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.31 127.29 14.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.1 m -121.57 138.87 54.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 m -117.64 105.48 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.05 168.92 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -94.39 174.37 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.71 119.84 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.22 -21.08 48.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.47 167.3 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -101.05 122.72 44.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.7 t -96.31 137.95 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.03 109.65 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.25 111.76 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -100.82 150.23 23.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -160.79 170.71 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -134.78 164.97 26.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -132.48 -178.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -77.99 -33.35 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -103.1 -175.24 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -117.75 164.0 15.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 t0 38.37 49.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.26 178.66 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -129.49 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.43 ' CG2' ' NE1' ' A' ' 40' ' ' TRP . 3.1 m -80.83 155.77 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 55.1 mttp -111.53 111.12 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.444 ' CE3' HD21 ' A' ' 66' ' ' LEU . 48.8 m95 -88.1 130.35 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 38.4 m-85 -125.85 138.18 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -104.98 100.77 10.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.13 30.92 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 -24.69 31.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.63 151.12 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.52 129.21 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 48' ' ' ILE . 56.6 mt -82.79 135.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' N ' HG21 ' A' ' 47' ' ' ILE . 30.7 mm -120.76 90.1 45.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -176.53 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -104.84 146.69 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 28.0 mtp180 -136.59 108.27 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.26 120.82 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -123.77 141.51 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.11 127.16 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -130.34 113.44 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.56 -107.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -120.14 19.13 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -135.69 136.67 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -102.71 163.52 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.3 mp -146.18 116.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 HD21 ' CE3' ' A' ' 40' ' ' TRP . 37.5 tp -102.66 105.7 16.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -95.61 141.13 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.0 mt -125.24 104.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.79 103.34 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.57 83.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.84 90.61 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.83 160.72 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.72 -47.59 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.1 86.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -40.17 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.89 95.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.2 170.46 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.39 100.07 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 92' ' ' LEU . 73.5 m-85 -86.79 111.43 20.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m -114.54 136.62 52.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.51 166.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -151.07 113.91 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -104.58 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.1 p -50.09 -36.24 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.06 41.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.14 160.28 30.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.07 140.65 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -141.31 162.16 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -147.27 144.16 28.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -139.43 155.47 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -106.57 121.45 44.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 79' ' ' TYR . 21.7 tp -114.29 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -111.6 124.68 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.82 123.77 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 77.2 mt -115.68 123.96 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 mmt -106.32 138.76 41.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.94 101.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -65.8 -43.27 89.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -112.33 101.11 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -69.63 147.89 50.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.65 156.55 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.88 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.25 129.29 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 m -119.87 147.49 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.5 m -124.08 105.31 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.92 -178.39 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -116.58 158.56 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 11.4 t -57.16 108.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.35 -20.12 38.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.65 163.5 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -97.68 126.4 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -98.97 132.21 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -122.98 106.78 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 mt -98.27 111.23 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.98 151.24 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.9 p -163.2 165.19 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -129.86 158.09 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 9.8 m -129.54 178.71 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -77.16 -40.2 46.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -93.76 172.9 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -106.77 162.13 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 35.14 41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.26 -179.31 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.91 91.53 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.91 153.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -110.77 114.27 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -89.02 139.57 30.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 41.6 m-85 -133.62 137.47 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -103.62 103.76 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 63.47 26.0 14.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.0 -29.81 9.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.57 152.02 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.18 141.35 30.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 48' ' ' ILE . 77.2 mt -96.01 138.26 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 ' N ' HD11 ' A' ' 48' ' ' ILE . 4.7 mp -124.69 89.94 51.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -173.44 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.331 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -82.3 141.7 32.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.448 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 25.3 mtp85 -137.28 109.63 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.438 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 16.5 mt -89.8 109.2 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -103.24 150.95 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.8 118.51 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -126.69 98.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.57 -116.26 8.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -109.7 19.36 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.64 137.01 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -102.22 160.34 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.76 111.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -95.62 104.27 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -97.13 135.42 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.04 115.38 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.56 107.43 15.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.6 73.88 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 91.83 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.23 170.52 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -46.38 -34.68 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.34 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.64 -27.85 59.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.98 89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.05 170.47 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -80.1 102.93 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CE1' HD21 ' A' ' 92' ' ' LEU . 80.1 m-85 -86.61 112.41 21.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.5 m -122.34 138.7 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.17 170.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.6 tmm? -150.6 123.07 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.0 p -115.93 -177.43 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -28.79 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -154.15 46.78 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.89 158.59 30.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -154.44 137.0 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -131.09 158.31 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p -142.66 146.9 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -108.87 138.08 45.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.464 HD21 ' CE1' ' A' ' 79' ' ' TYR . 32.4 tp -119.55 135.05 54.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -121.58 140.38 52.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 21' ' ' CYS . 39.2 t -126.28 117.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.436 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 92.7 mt -120.16 130.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.18 144.74 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -87.06 103.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -66.89 -44.44 80.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -112.35 112.65 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.98 151.49 24.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.43 147.96 47.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -116.86 136.92 52.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 129.39 6.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 149.08 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -130.54 108.5 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.04 -179.02 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -106.05 167.13 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.9 p -69.83 108.23 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.07 -6.18 39.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.88 169.96 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -102.73 122.17 43.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -93.93 139.24 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -132.04 116.11 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 mt -106.62 114.66 28.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -100.69 151.61 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.63 163.94 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -131.51 154.17 49.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 4.6 m -123.24 -175.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 p -85.89 -16.4 38.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' CG ' HG12 ' A' ' 8' ' ' ILE . 57.0 mm-40 -113.78 -177.74 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.04 156.6 27.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 37.57 37.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.76 -176.13 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.62 92.23 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG12 ' CE1' ' A' ' 64' ' ' HIS . 3.4 m -83.93 157.79 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' MET . 26.9 mttm -117.27 116.45 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -91.75 139.59 30.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -134.74 131.83 38.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -101.36 107.99 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' OD1' ' CB ' ' A' ' 77' ' ' ALA . 35.6 m120 63.83 27.28 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.95 -24.64 30.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -81.5 142.48 32.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.74 139.84 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 48' ' ' ILE . 38.3 mt -93.19 145.91 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 ' N ' HD11 ' A' ' 48' ' ' ILE . 4.7 mp -133.25 89.59 32.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.8 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -80.99 136.48 36.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 30.3 mtp180 -133.35 108.52 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -89.38 120.13 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -116.36 140.08 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.55 119.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -125.77 100.32 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.37 -116.36 7.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -109.68 16.3 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -134.72 132.81 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CE1' HG12 ' A' ' 38' ' ' VAL . 15.2 m-70 -97.48 165.95 11.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -147.01 116.62 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.0 tp -101.45 111.13 23.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.93 138.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.59 104.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.53 107.77 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.56 91.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.94 99.38 12.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 p -94.84 178.53 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -49.89 -45.42 50.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.28 91.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.17 -31.01 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . . . -67.91 91.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' CB ' ' OD1' ' A' ' 43' ' ' ASN . . . -145.17 171.51 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -78.47 102.03 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.46 113.9 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -121.42 136.71 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.8 169.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LYS . 7.2 tmm? -150.77 110.67 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.8 p -97.02 -176.35 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.4 p -65.73 -7.2 14.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -169.55 33.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.61 164.41 33.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -154.72 139.3 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -137.1 159.79 40.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 p -141.18 149.94 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.36 140.56 19.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -99.07 124.39 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.71 114.66 27.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -102.52 130.29 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 76' ' ' ALA . 29.5 t -109.59 131.77 59.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' HE2' ' A' ' 9' ' ' MET . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 79.4 mt -95.01 121.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.414 ' HE2' ' C ' ' A' ' 7' ' ' GLY . 11.4 mmt -99.64 139.64 35.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.42 99.02 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -64.42 -47.79 77.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -105.77 98.09 7.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.28 155.82 36.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.87 149.49 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -121.16 139.72 52.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 1.3 t0 -46.37 129.88 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -124.35 128.25 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.4 m -111.34 104.73 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.66 -179.66 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -107.78 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -73.81 116.04 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.15 -28.28 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.62 167.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -99.91 127.83 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 26' ' ' GLU . 40.4 t -100.46 141.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 25' ' ' VAL . 13.2 mt-10 -133.78 105.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -94.63 110.5 22.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 8.8 tt0 -100.6 147.59 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.8 p -159.83 165.53 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.17 156.48 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 4.7 m -126.11 -178.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -81.37 -33.06 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -99.85 179.02 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.7 p30 -112.4 164.2 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.4 m-20 34.98 46.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.36 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -129.17 88.62 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -77.31 161.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.4 mtmt -118.68 111.73 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CE3' HD21 ' A' ' 66' ' ' LEU . 52.6 m95 -86.64 133.86 33.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 34.7 m-85 -128.0 135.21 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.486 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 17.3 tttt -103.32 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.0 m120 68.6 29.08 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.55 -24.67 30.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -81.58 142.84 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -83.13 127.3 33.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 48' ' ' ILE . 58.7 mt -82.37 137.47 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.472 ' N ' HG23 ' A' ' 47' ' ' ILE . 4.8 mp -121.58 90.34 47.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -94.33 138.42 32.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -138.98 105.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.04 117.14 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -122.53 136.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -113.39 133.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -131.73 108.57 9.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.17 -104.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -120.56 20.16 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -137.67 136.17 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.417 ' C ' HD12 ' A' ' 65' ' ' ILE . 20.2 m-70 -101.22 159.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -142.31 110.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.558 HD21 ' CE3' ' A' ' 40' ' ' TRP . 40.9 tp -95.37 103.91 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -92.05 146.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.597 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 17.0 mt -131.38 102.89 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.57 108.32 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.59 82.64 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.7 93.28 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -94.73 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' THR . 3.2 mptp? -34.19 -51.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.64 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.2 OUTLIER -44.41 -41.08 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . -48.07 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.51 165.22 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.91 100.75 8.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 72.5 m-85 -86.55 111.78 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -118.48 136.18 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 163.7 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -144.05 120.14 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.1 p -113.34 176.14 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.8 p -47.54 -35.67 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.92 45.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.18 158.3 30.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -154.75 141.01 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -145.11 161.7 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.4 t -147.45 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.51 178.15 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -125.41 122.03 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 tp -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -94.63 130.18 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -112.15 130.7 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' GLY . 92.5 mt -113.03 133.03 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.405 ' N ' HG22 ' A' ' 8' ' ' ILE . 7.5 mmt -110.49 133.81 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.67 98.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -61.66 -38.92 89.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 13.5 ttmm -118.1 110.71 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -78.56 152.79 31.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 26.1 mt -57.01 154.86 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 58.3 mt-10 -123.89 124.87 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -34.43 137.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -131.14 147.96 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 m -128.94 104.89 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.92 173.02 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -108.58 159.54 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 t -54.4 108.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.91 8.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.1 169.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' NE ' HG13 ' A' ' 67' ' ' ILE . 39.1 ttt180 -102.96 123.41 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 26' ' ' GLU . 47.2 t -94.66 137.68 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 25' ' ' VAL . 37.6 mt-10 -133.84 103.9 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.51 109.22 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -95.89 158.99 15.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.9 p -167.01 168.25 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 23.5 mt-10 -133.17 154.6 50.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' CB ' ' A' ' 36' ' ' ALA . 3.5 m -126.45 -176.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.7 p -76.5 -36.11 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' CG ' HG12 ' A' ' 8' ' ' ILE . 1.1 pt-20 -116.26 177.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.29 162.69 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.5 m-20 35.43 37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -68.38 105.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -52.83 87.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m -88.11 163.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.1 mmtt -120.57 115.11 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.565 ' CE3' HD13 ' A' ' 66' ' ' LEU . 65.8 m95 -92.0 128.04 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 71.9 m-85 -121.09 141.1 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.4 tttt -105.28 93.44 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 69.39 30.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 -29.54 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.28 150.78 33.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.55 134.47 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.25 141.98 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 mm -130.34 89.86 43.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.849 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.412 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 47.1 m-85 -79.72 144.19 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 31.2 mtp180 -141.37 113.66 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG21 ' NE1' ' A' ' 40' ' ' TRP . 22.9 mt -92.93 132.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 49.3 ttm-85 -117.71 154.56 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 84.6 t -125.28 125.43 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.4 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -114.04 21.07 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -135.62 145.67 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' C ' HD12 ' A' ' 65' ' ' ILE . 19.5 m-70 -115.28 160.34 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -147.95 113.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.565 HD13 ' CE3' ' A' ' 40' ' ' TRP . 8.8 tt -96.18 112.97 24.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -98.2 143.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 23.9 mt -127.64 104.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -71.77 108.31 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.2 80.54 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.55 88.8 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.409 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -84.26 161.61 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' THR . 34.4 mmtt -37.21 -58.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.82 -47.7 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 72' ' ' THR . 1.1 m-20 -41.48 -36.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.41 93.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.05 171.19 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.4 101.75 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 57.0 m-85 -87.51 114.36 24.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.9 m -126.23 142.89 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -105.26 166.56 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttm -147.11 135.77 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.447 ' HG1' ' N ' ' A' ' 86' ' ' GLY . 46.5 p -126.35 177.89 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -53.69 -18.0 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -165.31 46.64 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.447 ' N ' ' HG1' ' A' ' 83' ' ' THR . . . -169.06 161.0 34.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -154.55 141.12 18.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -135.03 153.82 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 p -135.65 150.41 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -153.61 146.13 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -99.54 138.55 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.7 tp -125.0 109.14 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -99.4 116.65 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.03 113.34 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.438 ' N ' ' OG1' ' A' ' 84' ' ' THR . 80.2 mt -118.35 129.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -109.14 141.65 41.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.461 HG13 ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.29 98.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 p -63.26 -49.29 74.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.9 tttp -98.63 102.83 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.461 ' NE2' HG13 ' A' ' 10' ' ' VAL . 36.2 mm-40 -73.18 162.66 29.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -68.79 155.8 39.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -124.15 139.24 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 134.56 18.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 18' ' ' THR . 92.6 m -130.47 141.95 50.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 17' ' ' THR . 90.4 m -123.1 104.13 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.7 177.26 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.414 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 38.4 m-85 -109.42 173.22 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.4 111.88 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.93 -18.25 52.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 57.8 mt-10 -69.48 164.9 22.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 122.51 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 26' ' ' GLU . 43.9 t -94.51 140.22 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' N ' HG11 ' A' ' 25' ' ' VAL . 20.6 mt-10 -132.83 111.41 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 mt -103.17 116.38 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.73 150.33 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.5 p -161.07 175.77 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 40.4 mt-10 -137.94 162.83 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.43 -175.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -86.42 -34.29 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -123.64 132.93 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -57.4 174.67 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.6 p30 38.46 43.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 99.15 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -57.62 90.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -80.33 157.45 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 25.0 mttm -114.1 114.04 25.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CE3' HD21 ' A' ' 66' ' ' LEU . 76.1 m95 -91.13 129.67 37.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 74.3 m-85 -124.71 136.33 53.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -105.41 99.23 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.89 28.02 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.68 -22.65 38.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -83.01 147.16 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -82.88 132.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -88.5 136.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 48' ' ' ILE . 4.8 mp -122.19 89.7 48.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.21 144.97 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp180 -132.62 107.44 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 20.7 mt -90.39 117.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.483 ' CD ' ' OE1' ' A' ' 60' ' ' GLU . 19.6 ttm105 -115.44 157.3 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 64' ' ' HIS . 85.3 t -127.8 125.47 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' OE1' ' CD ' ' A' ' 58' ' ' ARG . 1.6 mp0 -124.48 103.53 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.1 -104.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -116.31 14.24 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -131.22 134.3 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 59' ' ' VAL . 23.5 m-70 -100.4 162.56 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.74 116.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' CE3' ' A' ' 40' ' ' TRP . 42.6 tp -102.1 108.27 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -97.98 133.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -115.69 108.31 24.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.44 110.94 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.33 83.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.38 105.81 18.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -103.14 155.03 18.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' THR . 2.6 mmmp? -34.32 -44.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.35 73.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -46.67 -36.02 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 91.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.59 167.54 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.94 102.88 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CE1' HD22 ' A' ' 92' ' ' LEU . 72.5 m-85 -86.55 113.29 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -121.65 135.93 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.26 165.18 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -145.84 115.23 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.4 p -101.86 -174.96 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 45.3 p -57.37 -31.3 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.19 34.93 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.19 166.59 32.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 88' ' ' SER . 32.8 tt0 -154.76 155.89 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.47 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 14.6 t -148.21 159.75 43.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 p -149.2 142.2 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.55 -175.04 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -132.12 127.43 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 79' ' ' TYR . 19.0 tp -111.88 104.48 12.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -93.86 126.37 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.33 130.28 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.8 mt -113.55 128.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -108.17 134.05 51.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.32 100.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -117.06 99.93 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -68.46 160.78 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 90' ' ' ALA . 46.8 mt -63.79 152.87 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -122.28 136.01 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.91 132.74 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.2 m -128.42 144.96 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.8 m -129.21 106.61 8.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.58 -178.54 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -112.71 171.95 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 t -67.47 113.7 5.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.64 -30.54 9.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.0 160.05 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.33 124.66 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 92' ' ' LEU . 43.5 t -95.93 136.89 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -130.96 117.04 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 mt -106.32 111.68 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -99.2 147.91 24.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.9 p -159.25 163.05 36.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -126.67 157.76 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.7 -177.87 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -86.63 -28.79 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.64 140.33 51.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -63.16 166.1 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 13.5 t0 35.78 51.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' CE1' ' A' ' 64' ' ' HIS . . . -85.33 99.17 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -55.47 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ALA . 12.6 m -84.62 160.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 43.4 mttt -118.18 110.79 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE3' HG12 ' A' ' 81' ' ' VAL . 67.1 m95 -85.98 120.36 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 49.3 m-85 -113.55 139.51 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -106.37 103.69 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.3 m120 65.51 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.67 -28.65 11.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.07 151.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.62 132.62 34.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 48' ' ' ILE . 67.3 mt -90.05 133.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' N ' HG21 ' A' ' 47' ' ' ILE . 16.7 mm -122.7 90.07 49.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.64 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -79.83 136.24 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 8.5 mtt-85 -128.73 112.95 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.8 mt -97.96 110.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -109.51 147.85 32.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.572 ' CG2' ' CE1' ' A' ' 64' ' ' HIS . 72.7 t -116.9 105.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.5 -105.69 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -115.82 10.48 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -126.52 134.09 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 59' ' ' VAL . 22.8 m-70 -95.96 159.95 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.15 118.33 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 HD23 ' CE3' ' A' ' 40' ' ' TRP . 14.0 tp -104.06 110.75 23.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -101.75 137.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' OD2' ' A' ' 75' ' ' ASP . 19.1 mt -119.99 104.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.55 106.6 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.99 78.52 1.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.51 93.29 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.08 168.48 13.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -45.44 -32.52 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.72 -48.42 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD2' ' CG2' ' A' ' 68' ' ' ILE . 7.2 t0 -39.59 -38.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.69 169.93 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.6 103.1 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -91.29 113.05 25.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -120.3 134.86 55.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.8 m -99.53 164.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 ttm -143.33 123.7 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.3 p -112.99 -175.86 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 p -62.95 -27.27 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -153.29 42.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.79 163.71 36.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 88' ' ' SER . 27.7 tt0 -154.57 155.07 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 8.5 t -147.08 159.24 43.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 p -147.3 145.9 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB3' ' CB ' ' A' ' 14' ' ' LEU . . . -141.64 175.73 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -128.03 117.44 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' HG11 ' A' ' 25' ' ' VAL . 34.8 tp -107.31 124.72 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -117.69 126.85 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.7 t -106.82 121.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.9 mt -100.05 135.31 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.5 mmt -113.39 138.46 50.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.92 100.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -67.09 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -119.46 97.72 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' NE2' ' HG ' ' A' ' 88' ' ' SER . 21.9 mm100 -62.76 155.2 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 90' ' ' ALA . 16.8 mt -62.88 155.99 25.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -125.18 126.32 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.82 135.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 18' ' ' THR . 72.6 m -127.65 140.35 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' HG23 ' A' ' 17' ' ' THR . 28.5 m -127.02 113.49 16.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.44 152.37 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.65 172.07 13.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' ASP . 49.0 t -68.85 119.75 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.76 -16.92 57.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -73.0 164.47 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -99.99 122.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 26' ' ' GLU . 59.8 t -93.48 139.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 25' ' ' VAL . 40.3 mt-10 -133.08 121.07 22.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.4 mt -110.98 112.32 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 7.8 tt0 -100.2 149.98 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -164.1 160.96 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -124.04 160.78 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -131.37 178.01 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 t -79.31 -30.01 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -103.76 164.97 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.05 156.76 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 39.75 49.97 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 179.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -129.22 92.4 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -82.29 159.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 26.3 mttp -114.73 111.1 20.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' HG13 ' A' ' 81' ' ' VAL . 66.2 m95 -85.88 129.29 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.3 m-85 -124.15 132.26 53.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 25.2 tttm -82.88 97.53 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLU . 10.2 p30 50.55 24.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.02 3.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.8 146.48 48.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.49 120.95 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -84.62 131.67 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.4 mm -120.87 90.09 46.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -174.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.866 0.365 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -84.32 143.27 29.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.1 mtp85 -135.2 110.12 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.6 mt -94.8 117.08 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -119.41 145.63 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.31 121.93 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -120.91 103.04 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.89 -107.01 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -119.2 18.82 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -135.21 141.81 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -104.31 157.09 17.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.95 112.52 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.56 104.08 16.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -91.4 143.57 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.7 mt -126.92 101.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -69.77 110.38 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.5 87.51 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.85 91.55 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.5 p -89.25 163.98 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -46.39 -28.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -35.74 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -15.65 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.03 93.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.76 163.93 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ASN . 32.9 tt0 -76.37 103.96 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -86.43 113.72 22.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.2 m -119.69 135.47 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.562 HG13 ' CE3' ' A' ' 40' ' ' TRP . 1.5 m -99.33 158.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.5 ttm -135.67 127.09 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.6 p -118.28 -179.85 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.7 p -57.76 -31.35 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.32 42.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.9 162.26 36.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 88' ' ' SER . 50.7 tt0 -153.96 156.13 36.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.457 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.7 t -147.8 160.17 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.1 p -138.98 147.43 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 14' ' ' LEU . . . -149.96 141.25 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -98.76 126.39 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 25' ' ' VAL . 23.6 tp -110.35 117.0 32.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -105.8 130.17 53.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -105.62 136.87 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' CYS . 7.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.9 mt -102.35 125.52 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 11.4 mmt -101.86 148.02 25.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.0 t -87.68 98.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -63.49 -41.02 98.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 31.5 tttp -117.68 112.33 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -78.24 157.7 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.38 169.53 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -137.74 136.63 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.86 129.42 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 18' ' ' THR . 8.9 m -124.28 152.74 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 17' ' ' THR . 84.7 m -137.07 106.64 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.71 175.44 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.2 160.74 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.41 108.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.83 -14.33 34.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.13 166.3 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' NE ' HG13 ' A' ' 67' ' ' ILE . 18.1 ttt180 -101.19 118.55 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.25 140.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.86 109.05 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.78 112.84 25.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.425 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 5.5 tt0 -102.1 150.27 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.3 p -161.42 169.86 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 37.5 mt-10 -134.61 151.41 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.26 -175.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' MET . 38.9 t -79.82 -42.18 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.52 172.47 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -105.15 168.01 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 35.68 42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.57 165.95 15.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -113.8 96.23 5.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.83 156.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 31.5 mtpt -112.32 110.95 21.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.576 ' CE3' ' CD2' ' A' ' 66' ' ' LEU . 72.8 m95 -85.92 132.33 34.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 39.7 m-85 -125.97 140.8 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 23.2 tttt -101.18 92.08 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 68.41 34.2 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.1 -28.83 14.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.2 144.91 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 35.7 tt0 -81.71 132.64 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -91.24 135.73 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -121.44 90.74 47.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CE2' ' NE ' ' A' ' 54' ' ' ARG . 83.4 m-85 -94.38 136.52 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 mtp180 -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.98 109.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -110.85 139.84 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.51 130.23 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -132.66 106.43 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.01 -110.24 3.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -114.98 14.91 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -132.3 136.18 46.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.418 ' C ' HD12 ' A' ' 65' ' ' ILE . 15.2 m-70 -103.1 159.8 15.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.63 107.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.576 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 40.7 tp -93.87 104.26 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.464 HG13 ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.19 142.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.1 mt -128.74 102.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.45 128.38 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.87 90.44 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 p -80.97 178.34 8.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -58.25 -32.39 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.85 -29.85 68.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.04 89.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -143.98 171.71 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.85 100.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 81.5 m-85 -86.83 116.52 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -124.54 137.23 54.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.06 157.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 ttm -136.58 123.47 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -115.57 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -58.07 -34.36 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -148.81 45.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.61 159.72 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -153.16 150.68 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -146.48 158.9 43.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -144.27 151.16 39.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.87 -177.63 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -133.81 112.77 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.1 tp -106.53 124.08 49.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -117.35 127.52 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.03 132.41 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 63.5 mt -116.59 128.62 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mmt -108.06 139.85 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.51 98.08 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -66.01 -48.88 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -104.52 103.94 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -71.84 160.53 32.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.68 145.77 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -112.58 137.32 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.98 125.55 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -115.77 144.06 44.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -126.87 104.17 7.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.32 175.87 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -106.54 163.86 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.82 103.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.02 -22.47 16.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.92 165.53 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' CZ ' HG13 ' A' ' 67' ' ' ILE . 5.1 ttt85 -103.6 118.71 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 26' ' ' GLU . 53.3 t -93.46 140.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' HG12 ' A' ' 25' ' ' VAL . 26.1 mt-10 -133.43 103.06 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -93.95 110.21 21.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 15.3 tt0 -100.6 152.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 12.9 p -165.05 172.83 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -140.64 153.91 46.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 24.1 m -125.89 179.32 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -79.49 -39.58 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.21 172.46 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 15.8 p30 -108.14 167.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 12.4 m-20 34.67 36.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -79.15 166.1 22.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -121.3 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -77.56 159.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 39.5 mtmt -115.09 110.99 20.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD11 ' A' ' 66' ' ' LEU . 56.9 m95 -86.34 133.48 33.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.5 m-85 -126.35 139.51 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -104.74 91.19 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 73.78 25.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.38 -35.01 4.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.27 148.21 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.2 141.96 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.9 mt -97.21 128.23 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.63 89.56 28.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.04 4.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.95 151.69 31.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 22.9 mtp180 -140.75 115.64 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.43 112.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -107.49 144.09 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -113.09 122.3 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 24.4 mm-40 -131.41 113.92 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.89 -117.1 6.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -111.01 19.37 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.2 146.92 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -113.42 152.53 29.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.26 108.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD11 ' CE3' ' A' ' 40' ' ' TRP . 9.2 tt -95.41 111.15 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.468 HG13 ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -94.79 142.49 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 42.1 mt -123.38 109.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.72 103.53 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 82.2 1.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.52 90.03 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.9 p -82.95 170.77 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -48.87 -44.89 40.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.23 86.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -46.65 -31.19 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.419 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -59.9 96.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.93 170.5 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.71 100.8 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE1' HD23 ' A' ' 92' ' ' LEU . 76.5 m-85 -87.61 114.41 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.1 m -123.44 139.91 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.98 164.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.8 ttm -144.42 124.0 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.7 p -113.8 -174.92 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.0 p -61.35 -30.48 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.47 45.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.34 163.92 36.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -154.57 152.63 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -143.35 157.72 44.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 p -138.39 152.77 48.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.55 156.39 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -112.0 123.79 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.47 HD23 ' CE1' ' A' ' 79' ' ' TYR . 21.8 tp -110.82 111.69 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m -101.48 119.94 39.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.419 HG22 ' CB ' ' A' ' 76' ' ' ALA . 97.3 t -104.47 121.37 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' HE2' ' A' ' 9' ' ' MET . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 70.0 mt -97.71 126.31 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.406 ' HE2' ' C ' ' A' ' 7' ' ' GLY . 10.9 mmt -106.83 134.44 49.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -77.72 101.65 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 p -67.83 -46.06 72.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.04 95.56 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -62.79 155.97 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.17 147.88 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.11 132.86 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.74 126.91 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 18' ' ' THR . 89.5 m -116.99 141.09 48.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.421 ' N ' HG23 ' A' ' 17' ' ' THR . 89.2 m -120.56 103.33 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.66 175.28 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.7 178.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 95' ' ' ASP . 7.9 p -70.1 127.3 32.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.84 13.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.38 172.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.54 124.66 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.04 134.18 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.48 106.33 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.4 mt -97.6 110.68 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -100.92 149.1 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 p -161.27 167.6 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -130.82 158.73 39.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 9.6 m -130.14 -177.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 t -80.87 -40.38 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -91.98 172.72 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 13.1 p-10 -107.62 157.77 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.2 t70 38.21 45.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.69 -179.79 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -128.84 89.62 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -81.01 153.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 62.4 mttt -109.01 112.94 25.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' HD22 ' A' ' 66' ' ' LEU . 65.4 m95 -87.43 130.11 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 52.0 m-85 -126.31 130.12 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -81.95 99.0 8.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 10.5 p30 50.96 26.08 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.58 -30.59 6.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.6 130.95 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.85 117.55 13.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -84.3 136.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -122.19 94.59 47.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.465 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.4 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.69 135.14 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 2.2 mpt_? -123.86 122.84 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 26.4 mt -107.12 107.63 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -111.08 139.78 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.19 122.1 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -119.42 106.2 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.22 -106.49 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -117.31 18.43 14.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -136.03 139.5 43.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -104.61 162.54 13.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -144.51 113.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.3 tp -98.5 107.1 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -97.04 148.66 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.579 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 17.9 mt -133.08 105.65 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 56' ' ' ARG . 30.8 mt-10 -77.08 102.34 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.93 71.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.82 95.16 5.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.76 169.95 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -52.04 -50.93 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.01 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.7 m-20 -48.76 -34.45 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.27 89.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -144.57 168.46 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ASN . 34.2 tt0 -77.61 103.97 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 64.8 m-85 -86.39 115.12 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.5 m -121.32 139.27 53.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -101.09 163.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 ttm -141.1 130.67 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -123.52 -178.99 4.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.4 p -57.29 -31.42 65.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.13 46.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.16 161.14 33.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HG2' ' N ' ' A' ' 88' ' ' SER . 37.6 tt0 -153.31 156.29 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.8 t -148.18 159.11 44.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -141.57 146.79 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -148.51 143.94 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.5 mtpm? -101.18 125.57 47.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -111.07 106.78 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -94.4 109.1 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -89.61 124.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' CYS . 9.9 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.5 mt -105.81 126.54 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.8 mmt -105.24 138.17 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.34 99.87 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 p -65.26 -45.63 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 42.5 tttp -109.44 94.38 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -67.11 154.35 41.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.62 157.77 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.8 134.66 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 139.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 18' ' ' THR . 95.5 m -140.07 138.51 35.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.463 ' N ' HG21 ' A' ' 17' ' ' THR . 64.8 m -121.31 108.69 14.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.96 175.95 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 45.3 m-85 -105.27 172.83 6.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -67.61 116.99 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -21.87 41.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 26.8 mt-10 -58.79 168.09 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 26.1 ttt180 -104.35 119.51 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.04 138.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CD ' ' NH2' ' A' ' 24' ' ' ARG . 10.4 mt-10 -133.28 109.25 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.1 mt -99.62 112.32 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 63' ' ' LYS . 5.4 tt0 -100.38 152.18 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -163.21 170.72 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 18.4 mt-10 -137.56 158.0 45.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 13.2 m -128.12 -176.09 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -85.05 -32.41 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' CG ' HG12 ' A' ' 8' ' ' ILE . 15.5 mm-40 -96.67 -179.85 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.19 153.49 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 38.91 44.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.42 -178.12 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -126.54 87.8 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.29 153.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -110.51 110.94 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CD1' HG12 ' A' ' 57' ' ' ILE . 76.4 m95 -87.35 129.46 35.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -122.67 140.79 52.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -108.54 92.48 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 74.47 26.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -28.41 13.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.41 144.97 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -83.57 122.03 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.17 134.02 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.7 mm -122.48 90.24 49.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.39 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -83.39 147.55 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 69' ' ' GLU . 17.4 mtt180 -137.17 108.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 40' ' ' TRP . 19.2 mt -89.55 113.07 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -105.04 155.12 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.9 114.15 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -123.2 102.33 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.45 -113.48 5.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -112.87 19.04 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -132.6 137.96 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -105.75 155.48 19.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.8 110.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 tp -95.37 103.71 15.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.92 149.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.57 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 34.0 mt -131.77 101.05 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' A' ' 56' ' ' ARG . 43.2 mt-10 -67.85 103.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.88 90.8 0.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.93 91.87 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -87.03 175.07 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -53.57 -38.84 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.99 -36.37 82.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.3 -28.8 65.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 92.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.92 169.79 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.41 105.42 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -87.1 112.87 22.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 m -123.6 135.15 53.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.1 m -100.45 165.32 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.4 ttp -147.34 121.01 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.5 p -113.75 -175.44 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.8 p -57.39 -33.8 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.01 45.81 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.14 159.78 33.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -153.09 150.1 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -143.47 161.87 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 p -146.39 146.42 30.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -150.57 144.19 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -97.8 128.96 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.38 108.57 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 112.88 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.55 120.62 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.9 mt -104.77 119.95 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 85' ' ' GLY . 7.2 mmt -100.57 139.1 36.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.21 100.61 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -65.65 -39.59 91.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 48.5 tttp -118.26 100.61 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -62.76 154.16 30.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.54 157.89 16.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -123.96 133.25 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.88 136.48 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -125.94 148.86 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -126.68 107.54 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.83 175.25 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 95' ' ' ASP . 31.0 m-85 -112.85 176.4 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -70.93 106.93 3.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.23 -3.13 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.97 164.58 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -104.71 119.87 40.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 26' ' ' GLU . 41.1 t -93.71 141.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 25' ' ' VAL . 57.8 mt-10 -131.7 111.32 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -101.4 112.34 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -100.49 147.49 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.7 p -159.54 162.61 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.8 mt-10 -125.39 154.53 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.21 171.73 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.5 t -71.96 -35.12 69.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.15 169.82 9.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -104.64 155.37 18.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 41.5 32.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.38 174.29 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -121.13 91.53 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.0 m -85.01 160.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 42.0 mtmt -116.6 115.23 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -89.25 131.55 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 42.8 m-85 -125.42 138.3 54.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.0 ttpt -103.55 91.36 4.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 71.62 34.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.46 -30.2 10.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.37 150.58 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -91.22 128.06 36.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 48' ' ' ILE . 58.7 mt -89.98 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 47' ' ' ILE . 29.6 mm -124.69 94.86 43.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.43 137.59 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp85 -135.51 107.77 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.17 112.65 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -108.02 148.76 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.84 115.98 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -122.18 107.77 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.32 -111.18 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -116.45 16.74 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -131.76 135.23 46.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.544 ' CE1' HG13 ' A' ' 38' ' ' VAL . 18.4 m-70 -97.24 165.97 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.8 mp -149.75 111.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -97.0 105.21 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -94.73 140.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.9 mt -122.25 121.31 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -88.89 104.71 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.48 79.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.17 104.95 12.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -108.73 168.35 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -35.04 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.75 91.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.08 -21.0 64.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.85 90.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.74 172.07 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -76.05 107.46 8.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 54.3 m-85 -86.27 112.32 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 m -120.83 133.77 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.73 157.3 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -134.46 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -123.65 175.41 6.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 p -63.12 -7.02 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 9' ' ' MET . . . -170.26 42.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.55 158.29 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -152.46 145.26 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -138.46 162.91 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -143.73 150.57 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.04 159.73 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -110.05 139.4 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -128.16 118.79 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -105.0 141.18 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.4 t -118.49 121.45 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 3.7 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' OG1' ' A' ' 84' ' ' THR . 95.2 mt -115.18 130.67 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mmt -109.64 135.06 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 p -77.7 101.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 p -65.1 -51.94 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -95.05 98.37 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.14 157.9 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' CD1' HG11 ' A' ' 81' ' ' VAL . 37.3 mt -71.3 136.31 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -103.66 149.17 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 130.89 47.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -119.48 151.47 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.3 m -130.08 103.62 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.31 178.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' C ' ' OE1' ' A' ' 23' ' ' GLU . 56.3 m-85 -110.24 161.12 15.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.47 114.79 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.62 -35.23 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 20' ' ' TYR . 10.4 mp0 -56.43 164.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.96 126.69 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' CG1' HD12 ' A' ' 92' ' ' LEU . 63.9 t -95.95 133.42 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -130.06 110.75 11.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 mt -101.54 119.88 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' CD ' ' HD3' ' A' ' 63' ' ' LYS . 8.3 tt0 -101.4 145.42 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.97 163.01 39.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -128.74 156.04 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.5 m -127.01 171.63 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -70.08 -33.34 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -102.82 174.49 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -107.0 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.6 t70 37.44 46.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 169.25 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -117.53 92.99 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -82.19 160.34 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.0 mppt? -117.66 111.81 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.436 ' CE3' HD22 ' A' ' 66' ' ' LEU . 56.7 m95 -86.89 137.36 32.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 43.5 m-85 -129.11 137.81 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 75' ' ' ASP . 4.9 tttp -100.35 99.58 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 63.85 29.53 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.94 8.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -75.02 146.63 41.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -81.89 131.55 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.1 mt -90.39 136.28 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -124.03 90.32 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.2 Cg_endo -69.75 177.56 5.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.297 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.419 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 52.0 m-85 -82.46 147.47 28.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 15.5 mtt85 -142.17 110.55 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 29.9 mt -85.89 108.6 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -99.0 141.97 31.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.5 t -112.43 119.22 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.18 102.32 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.25 25.83 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.78 12.34 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HD3' ' CD ' ' A' ' 28' ' ' GLU . 6.4 ptpp? -128.53 143.82 51.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -105.35 163.15 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.75 112.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.436 HD22 ' CE3' ' A' ' 40' ' ' TRP . 38.3 tp -95.35 110.91 22.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.26 140.3 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.9 mt -124.7 101.94 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.7 104.87 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.55 81.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.61 92.09 8.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.49 167.75 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.5 -28.53 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -55.15 -37.79 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.82 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.99 169.09 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.22 104.05 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 88.1 m-85 -89.25 111.62 22.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.7 m -119.91 134.83 55.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 14' ' ' LEU . 1.8 m -100.03 162.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 ttp -146.35 106.06 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -92.23 -179.05 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 49.7 p -48.72 -32.68 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.3 30.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.76 27.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.65 143.2 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -144.69 161.82 38.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 p -143.38 141.63 30.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.22 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -123.08 122.85 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.415 HD12 ' CG1' ' A' ' 25' ' ' VAL . 16.0 tp -107.45 132.68 52.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -119.29 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.4 127.65 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.6 mt -106.84 130.24 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -108.9 135.52 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.6 99.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -65.35 -43.08 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -116.41 99.53 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.63 170.25 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 72.8 mt -77.45 150.24 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -116.34 138.03 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.1 121.94 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.6 m -116.42 143.21 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -121.76 112.83 18.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.59 167.08 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -102.15 164.62 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.48 102.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.51 -16.37 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.5 166.84 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -99.32 118.22 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG2' ' HB1' ' A' ' 71' ' ' ALA . 17.9 t -93.36 134.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.97 105.08 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -100.21 114.98 28.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -102.13 152.17 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.7 p -161.02 160.89 31.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.3 150.47 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 m -124.46 -176.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -82.63 -41.9 18.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.74 171.76 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -105.27 163.16 12.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.7 t0 34.76 39.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.47 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -132.1 89.97 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 m -83.6 158.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.7 mttm -115.03 110.85 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.5 m95 -85.04 127.68 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.8 m-85 -122.61 139.22 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -103.05 99.82 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 63.7 25.91 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.96 -30.95 7.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.58 149.88 38.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -89.49 131.75 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.05 140.63 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.22 90.41 50.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.2 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -82.6 139.37 33.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 3.0 mtp180 -134.78 104.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.95 124.97 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -124.42 134.41 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG23 ' ND1' ' A' ' 64' ' ' HIS . 71.0 t -106.2 110.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.22 97.81 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.05 -104.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -111.95 7.93 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 136.59 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.421 ' C ' HD12 ' A' ' 65' ' ' ILE . 8.3 m170 -103.27 163.83 12.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.421 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -143.77 108.6 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.2 tp -89.19 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.425 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -90.09 129.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.5 mt -121.47 102.87 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.0 129.39 37.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.45 76.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' HB1' ' CG2' ' A' ' 25' ' ' VAL . . . -82.46 110.67 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASP . 22.0 p -104.99 163.49 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -40.04 -40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.22 94.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.9 m-20 -55.72 -32.2 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . . . -63.65 90.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.17 170.67 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -77.29 99.92 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -86.66 113.22 22.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -116.84 135.87 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.553 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -100.69 158.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -137.27 129.13 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -121.13 -177.97 3.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 p -55.49 -36.21 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -149.1 48.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.51 162.17 32.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -154.42 149.1 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -136.42 161.96 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.6 p -149.35 146.42 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -144.61 173.78 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -127.01 113.38 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.8 tp -102.98 124.83 49.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -112.44 132.25 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 76' ' ' ALA . 86.0 t -110.94 124.05 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.4 mt -101.28 133.84 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.0 mmt -107.49 139.0 42.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.67 99.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -65.5 -37.06 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.5 tttp -118.91 119.8 35.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.93 148.08 24.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.22 144.55 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.28 135.54 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 1.4 t0 -44.17 129.43 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -121.34 138.14 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -121.51 102.85 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.31 173.25 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.56 156.49 18.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.5 t -55.02 105.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.89 -21.38 20.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.7 172.76 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -106.87 121.69 44.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 26' ' ' GLU . 68.2 t -93.34 144.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 25' ' ' VAL . 69.5 mt-10 -133.56 104.09 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 mt -95.22 110.78 22.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 27.1 tt0 -100.31 154.52 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 31.3 p -167.59 173.68 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.5 mt-10 -140.34 160.09 40.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 29.1 m -130.24 -178.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 t -81.81 -38.54 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.4 175.11 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.8 p30 -108.68 165.66 11.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.2 m-20 34.48 38.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.54 173.01 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.8 96.15 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 m -83.9 155.04 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.7 mppt? -110.81 111.02 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' HG23 ' A' ' 57' ' ' ILE . 78.5 m95 -84.83 132.96 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 47.2 m-85 -128.73 135.3 49.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 42.9 tttt -96.7 99.39 10.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.404 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.89 26.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.63 -33.75 5.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.0 148.17 40.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.93 138.86 33.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.7 134.86 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mm -117.52 92.78 41.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.458 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.81 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -95.53 151.73 19.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 mtp85 -139.22 107.68 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 14.3 mt -92.62 110.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 19.6 ttm180 -106.07 147.68 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.405 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 95.6 t -116.0 119.04 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 35.7 mm-40 -128.69 112.26 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.34 -115.83 7.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -114.13 16.49 18.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -128.3 146.99 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' C ' HD12 ' A' ' 65' ' ' ILE . 16.8 m-70 -112.83 152.87 28.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -139.89 107.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.3 tp -93.29 106.35 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -95.08 133.3 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' C ' HD11 ' A' ' 67' ' ' ILE . 18.3 mt -115.23 114.62 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.54 105.17 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.49 77.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.06 91.25 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.3 p -81.25 172.19 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -51.53 -46.28 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.77 84.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -43.54 -38.82 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.15 96.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.58 165.9 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -76.93 103.54 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 88.0 m-85 -86.63 111.65 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -117.26 135.81 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 m -99.62 165.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 ttm -146.5 113.92 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.5 p -103.31 -179.3 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.4 p -55.44 -30.49 60.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.25 43.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.83 163.86 37.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -154.43 150.0 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 t -144.86 160.75 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -146.15 147.69 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.91 161.17 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -112.88 122.7 48.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.404 HD11 ' CG1' ' A' ' 25' ' ' VAL . 21.6 tp -112.76 118.98 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t -110.38 129.72 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -107.17 119.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 9' ' ' MET . 97.3 mt -112.4 134.38 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.413 ' N ' HG21 ' A' ' 8' ' ' ILE . 11.0 mmt -107.18 151.38 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.7 t -89.71 99.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p -66.02 -48.94 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 78.7 tttt -107.26 97.85 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -68.4 156.46 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 mt -64.82 152.84 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.8 130.52 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.87 134.86 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -130.68 143.32 50.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.6 m -121.39 105.76 10.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.27 -178.44 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -111.63 159.85 17.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.97 114.95 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.22 -27.65 19.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.6 167.0 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -93.88 125.94 38.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 92' ' ' LEU . 61.4 t -103.76 129.75 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.49 114.97 15.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.87 117.51 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 9.3 tt0 -99.45 150.72 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -163.12 161.89 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 11.6 mt-10 -126.91 162.21 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 m -129.39 -176.78 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.61 -22.07 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -123.66 158.03 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 1.7 p30 -92.36 178.38 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.6 m-20 34.94 39.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.93 155.12 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -111.61 98.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 m -85.77 157.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 10.3 mmtm -112.92 114.04 26.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CE3' HG11 ' A' ' 81' ' ' VAL . 74.5 m95 -90.11 135.87 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 56.0 m-85 -127.67 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' CE ' ' HB1' ' A' ' 77' ' ' ALA . 17.8 tptm -101.06 94.73 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.95 30.22 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.56 -27.18 12.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.16 153.53 31.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -86.71 131.14 34.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.3 138.1 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' N ' HD11 ' A' ' 48' ' ' ILE . 4.9 mp -124.2 90.15 51.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 54.1 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -133.53 108.71 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 21.3 mt -88.87 109.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -104.0 150.53 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.75 118.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.45 101.23 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.99 -111.19 3.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -113.46 12.98 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -127.82 143.99 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -108.45 159.6 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -141.27 113.58 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 tp -96.61 98.77 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -88.98 140.25 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.5 mt -123.68 102.81 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.55 109.46 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 76.71 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . . . -79.95 91.02 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.13 163.65 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -39.91 -38.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.01 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -41.12 -32.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -61.63 93.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB1' ' CE ' ' A' ' 42' ' ' LYS . . . -149.75 170.25 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.53 100.54 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -87.03 113.5 22.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.5 m -123.56 135.03 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.549 HG11 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -99.55 168.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ttm -146.99 120.38 9.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.8 p -108.63 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.7 p -56.76 -34.35 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.43 40.68 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.8 164.92 35.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -154.75 155.52 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -148.21 158.23 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -138.91 149.76 45.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -150.98 146.44 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -105.58 125.1 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 25' ' ' VAL . 13.3 tp -114.32 130.51 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -121.44 128.77 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG21 ' CB ' ' A' ' 76' ' ' ALA . 47.1 t -108.69 132.63 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -89.07 88.85 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.801 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -134.32 94.54 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.61 25.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -38.06 156.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -52.53 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.6 -177.91 2.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' GLY . 98.2 mt -109.12 141.83 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -119.88 132.2 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.07 99.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 p -63.94 -45.85 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -109.65 113.73 26.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.07 145.53 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 30.9 mt -54.28 152.08 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -122.91 139.55 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.19 130.18 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.6 m -123.76 131.87 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 m -117.55 105.01 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.79 168.86 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -94.44 176.21 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.83 128.92 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.57 -14.14 31.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.52 168.33 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' NE ' HG13 ' A' ' 67' ' ' ILE . 32.8 ttt180 -99.97 119.76 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.44 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.58 117.2 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.8 mt -107.36 109.69 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.96 150.95 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.97 165.48 27.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -130.79 150.74 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.6 m -125.02 -177.23 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -84.86 -35.93 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -95.72 164.5 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -99.35 163.09 12.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . 25.0 t70 34.49 39.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.62 177.3 7.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -129.77 87.11 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.3 m -77.55 160.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 44.2 mttt -114.68 112.42 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.409 ' CE3' ' CD2' ' A' ' 66' ' ' LEU . 69.7 m95 -87.68 127.64 35.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.8 m-85 -123.52 135.16 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.58 102.38 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 63.78 30.98 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.11 29.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -77.15 147.99 36.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 23.6 tt0 -87.4 128.41 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' ILE . 76.5 mt -83.99 142.22 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -133.08 89.61 33.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -165.21 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.4 29.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.18 36.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -131.36 51.48 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.6 m -128.2 169.42 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -91.77 -40.82 11.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.27 139.18 32.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.9 mtp180 -130.78 106.65 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 mt -84.11 121.61 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -116.04 139.31 50.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.16 122.32 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -128.43 100.98 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -106.03 1.03 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -117.96 24.3 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -137.53 139.79 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.6 m-70 -108.01 156.57 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -140.11 108.0 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.409 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 22.9 tp -94.63 101.15 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.27 147.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 42.0 mt -126.08 113.73 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.85 108.76 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.85 86.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.37 96.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -93.36 174.82 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -54.62 -14.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.93 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.9 -31.11 64.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.94 94.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.75 171.6 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.29 100.36 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.64 115.85 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -121.39 135.46 55.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.1 155.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 ttm -138.28 123.3 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -112.57 -174.95 2.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -63.15 -21.79 66.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -158.44 42.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.71 161.86 35.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -154.71 147.71 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -143.42 162.29 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.01 148.79 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 14' ' ' LEU . . . -146.14 167.42 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -119.63 119.98 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.6 tp -109.4 109.37 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -102.55 125.88 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.1 t -100.4 130.64 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.16 136.0 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' LYS . 18.1 mt -82.71 106.65 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -36.56 122.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.8 t -86.47 145.25 26.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.89 159.21 34.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -77.26 88.62 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.9 t -136.5 146.97 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -112.6 163.82 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -160.08 123.52 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.61 -53.35 4.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -79.02 137.77 37.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -114.78 158.76 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.28 172.78 25.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.458 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 90.9 mt -111.92 125.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.1 mmt -104.23 136.2 44.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.64 100.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -65.91 -41.19 91.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 72.2 tttt -116.22 96.66 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -63.15 160.8 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.59 151.9 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -120.72 141.5 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.01 142.07 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 18' ' ' THR . 88.8 m -139.52 141.03 37.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' N ' HG21 ' A' ' 17' ' ' THR . 91.6 m -122.85 107.31 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -115.51 164.07 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -66.5 105.62 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.71 -10.26 32.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.79 166.84 21.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' NE ' HG13 ' A' ' 67' ' ' ILE . 15.5 ttt180 -96.56 118.28 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.75 138.0 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.15 116.19 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.25 109.55 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -98.05 150.04 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 p -162.32 165.05 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 21.8 mt-10 -132.66 155.82 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.8 m -128.18 -177.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -79.5 -42.03 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.39 -176.16 5.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 25.1 p30 -115.46 153.2 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 34.78 41.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.87 174.32 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -114.3 93.22 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -87.52 154.04 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -112.0 114.47 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -88.1 138.81 31.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 44.7 m-85 -133.34 137.13 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 16.9 tttt -102.56 98.2 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 68.79 31.35 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.89 -27.09 22.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.51 148.55 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 28.1 tt0 -84.8 136.08 33.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.2 mt -95.44 145.72 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' N ' HD11 ' A' ' 48' ' ' ILE . 5.2 mp -133.51 93.54 21.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.28 -169.66 28.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -33.61 16.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -112.32 44.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -130.54 167.76 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 8.7 mpt_? -93.79 -34.78 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -86.23 136.06 33.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -130.38 109.59 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.97 139.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.73 138.52 45.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.01 122.01 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -132.71 103.51 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.77 -113.66 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -115.17 23.56 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -138.51 136.99 36.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -101.25 159.66 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.46 107.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.3 tp -94.27 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.89 133.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -113.06 110.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.77 113.4 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.2 81.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.88 92.34 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 p -74.71 172.12 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -57.83 -37.29 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.23 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 77' ' ' ALA . 11.4 m-20 -51.11 -38.94 54.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.26 92.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -147.52 171.71 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -78.73 100.66 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 60.0 m-85 -86.69 112.79 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.2 m -121.1 141.3 50.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -102.81 162.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -141.96 127.15 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.3 p -118.78 -175.59 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.9 p -61.31 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.98 38.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.98 159.6 31.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -154.9 145.43 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -144.78 151.04 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -138.83 145.27 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.32 171.23 14.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -120.08 127.84 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.3 tp -118.43 123.59 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -115.52 111.8 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.1 t -93.79 117.62 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.18 163.94 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -97.29 106.88 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -63.51 171.06 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.6 p -45.72 -32.19 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.57 143.08 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.1 32.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 t -84.61 152.11 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.2 p -60.03 133.88 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.489 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -147.46 164.44 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -143.1 169.75 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.33 117.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -174.62 114.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.796 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -110.83 97.36 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.06 -176.45 7.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 91.7 mt -116.9 127.67 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mmt -104.76 139.81 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.48 100.95 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -65.62 -48.63 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -107.33 94.51 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -64.8 155.77 32.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CB ' ' HB1' ' A' ' 90' ' ' ALA . 22.9 mt -63.51 146.8 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.4 139.05 51.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.8 135.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -129.49 141.24 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 m -122.57 106.83 11.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.03 178.13 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -105.66 161.2 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.45 107.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.56 -22.2 31.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.13 167.9 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 26' ' ' GLU . 23.6 ttt180 -98.29 120.69 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -96.06 135.86 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 26.8 mt-10 -131.69 108.5 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.11 112.74 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 5.6 tt0 -100.77 146.68 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 p -158.08 156.43 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -121.56 154.25 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 4.5 m -126.38 -179.76 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.7 t -87.44 -2.07 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -128.36 170.39 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' ASP . 7.2 p-10 -108.63 161.66 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 73.7 m-20 35.52 40.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.87 175.91 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -126.54 88.69 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 64' ' ' HIS . 2.5 m -80.85 160.06 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.9 mmtt -117.04 115.02 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.518 ' CE3' HG12 ' A' ' 81' ' ' VAL . 60.3 m95 -90.65 132.07 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 57.0 m-85 -125.95 135.63 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.545 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.1 tttp -101.31 99.57 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 63.78 30.58 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -20.18 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.31 144.84 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.65 127.36 33.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.84 132.06 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.6 mm -118.38 90.97 40.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.53 5.52 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.57 -169.74 37.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -29.17 24.44 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -104.89 -37.89 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -45.45 163.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -91.29 -35.56 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -83.67 139.83 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 9.5 mtp85 -135.86 105.25 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 40' ' ' TRP . 51.7 mt -86.6 109.9 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -107.32 139.07 42.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -114.99 121.74 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -124.36 110.95 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.93 -106.18 1.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -119.97 20.17 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 8.0 ptpp? -133.73 142.91 48.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.469 ' CD2' HG11 ' A' ' 38' ' ' VAL . 24.1 m-70 -108.17 151.12 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.06 122.17 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD23 ' CE3' ' A' ' 40' ' ' TRP . 30.9 tp -105.7 101.06 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -89.84 146.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.526 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 20.8 mt -132.25 104.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.21 105.91 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.59 87.04 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.15 92.26 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.075 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -84.23 177.98 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -55.03 -34.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.18 68.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -59.22 -28.64 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.83 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.81 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.76 103.85 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 85.2 m-85 -89.91 111.47 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -115.88 137.85 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG12 ' CE3' ' A' ' 40' ' ' TRP . 3.0 m -102.39 160.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.4 ttp -142.49 113.1 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.0 p -101.82 -176.18 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.2 p -60.63 -24.38 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -156.54 44.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.72 163.42 36.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -154.7 146.73 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -140.68 162.81 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -147.84 142.13 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB1' ' CB ' ' A' ' 14' ' ' LEU . . . -141.29 160.58 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -114.5 118.92 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.3 tp -108.93 119.84 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -111.28 138.39 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.8 t -114.64 131.06 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -130.8 167.46 18.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -96.36 123.39 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -57.14 141.36 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -95.71 100.45 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.09 83.72 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.66 12.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.312 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -95.06 173.33 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.6 m -63.81 -51.39 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 m -58.7 139.55 55.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -82.72 112.22 19.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.71 135.68 4.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -50.77 136.53 21.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -112.19 -54.45 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.98 177.82 48.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.465 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 86.3 mt -115.04 119.92 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.12 141.92 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.04 99.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 p -64.37 -49.29 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -101.31 102.86 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -75.46 156.55 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 20.1 mt -67.69 152.52 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -122.85 141.34 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.31 127.29 14.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.1 m -121.57 138.87 54.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 m -117.64 105.48 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.05 168.92 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -94.39 174.37 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.71 119.84 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.22 -21.08 48.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.47 167.3 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -101.05 122.72 44.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.7 t -96.31 137.95 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.03 109.65 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.9 mt -101.25 111.76 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -100.82 150.23 23.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -160.79 170.71 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -134.78 164.97 26.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -132.48 -178.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -77.99 -33.35 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -103.1 -175.24 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -117.75 164.0 15.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 t0 38.37 49.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.26 178.66 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -129.49 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.43 ' CG2' ' NE1' ' A' ' 40' ' ' TRP . 3.1 m -80.83 155.77 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 55.1 mttp -111.53 111.12 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.444 ' CE3' HD21 ' A' ' 66' ' ' LEU . 48.8 m95 -88.1 130.35 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 38.4 m-85 -125.85 138.18 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -104.98 100.77 10.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 m120 67.13 30.92 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 -24.69 31.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.63 151.12 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.52 129.21 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 48' ' ' ILE . 56.6 mt -82.79 135.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' N ' HG21 ' A' ' 47' ' ' ILE . 30.7 mm -120.76 90.1 45.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 54.0 Cg_endo -69.77 -176.53 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.29 -174.32 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.36 8.33 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -130.62 -35.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.409 ' CB ' ' HA ' ' A' ' 49' ' ' PRO . 44.9 t -50.17 160.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -87.42 -17.45 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -104.84 146.69 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 28.0 mtp180 -136.59 108.27 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.26 120.82 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -123.77 141.51 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.11 127.16 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -130.34 113.44 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.56 -107.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -120.14 19.13 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -135.69 136.67 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -102.71 163.52 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.3 mp -146.18 116.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 HD21 ' CE3' ' A' ' 40' ' ' TRP . 37.5 tp -102.66 105.7 16.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -95.61 141.13 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.0 mt -125.24 104.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.79 103.34 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.57 83.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.84 90.61 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.83 160.72 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.72 -47.59 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.1 86.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -40.17 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.89 95.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.2 170.46 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.39 100.07 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 92' ' ' LEU . 73.5 m-85 -86.79 111.43 20.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m -114.54 136.62 52.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -99.51 166.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -151.07 113.91 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -104.58 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.1 p -50.09 -36.24 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.06 41.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.14 160.28 30.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.07 140.65 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -141.31 162.16 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -147.27 144.16 28.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -139.43 155.47 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -106.57 121.45 44.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 79' ' ' TYR . 21.7 tp -114.29 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -111.6 124.68 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.82 123.77 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.58 160.28 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.34 113.69 25.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -68.24 147.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -135.0 176.17 8.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.08 145.75 18.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -120.12 164.06 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.7 m -120.61 118.62 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -108.84 144.9 36.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 39.8 p -79.12 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.38 -85.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -83.38 164.84 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -120.55 81.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.98 -178.53 23.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 77.2 mt -115.68 123.96 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 mmt -106.32 138.76 41.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.94 101.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -65.8 -43.27 89.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -112.33 101.11 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -69.63 147.89 50.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.65 156.55 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.88 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.25 129.29 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 m -119.87 147.49 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.5 m -124.08 105.31 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.92 -178.39 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -116.58 158.56 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 11.4 t -57.16 108.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.35 -20.12 38.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.65 163.5 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -97.68 126.4 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -98.97 132.21 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -122.98 106.78 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 mt -98.27 111.23 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.98 151.24 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.9 p -163.2 165.19 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -129.86 158.09 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 9.8 m -129.54 178.71 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -77.16 -40.2 46.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -93.76 172.9 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -106.77 162.13 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 35.14 41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.26 -179.31 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.91 91.53 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.91 153.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -110.77 114.27 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.8 m95 -89.02 139.57 30.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 41.6 m-85 -133.62 137.47 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -103.62 103.76 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 63.47 26.0 14.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.0 -29.81 9.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.57 152.02 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.18 141.35 30.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 48' ' ' ILE . 77.2 mt -96.01 138.26 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 ' N ' HD11 ' A' ' 48' ' ' ILE . 4.7 mp -124.69 89.94 51.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -173.44 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.331 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.85 -171.19 31.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.68 14.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 41.42 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -125.28 165.79 17.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -86.13 -44.56 12.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -82.3 141.7 32.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.448 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 25.3 mtp85 -137.28 109.63 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.438 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 16.5 mt -89.8 109.2 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -103.24 150.95 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.8 118.51 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -126.69 98.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.57 -116.26 8.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -109.7 19.36 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.64 137.01 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -102.22 160.34 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.0 mp -141.76 111.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 tp -95.62 104.27 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -97.13 135.42 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.04 115.38 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.56 107.43 15.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.6 73.88 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.46 91.83 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.23 170.52 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' CE ' HD12 ' A' ' 96' ' ' LEU . 1.7 mptp? -46.38 -34.68 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.34 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.64 -27.85 59.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.98 89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.05 170.47 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -80.1 102.93 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.464 ' CE1' HD21 ' A' ' 92' ' ' LEU . 80.1 m-85 -86.61 112.41 21.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.5 m -122.34 138.7 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.17 170.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.6 tmm? -150.6 123.07 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.0 p -115.93 -177.43 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -28.79 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -154.15 46.78 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.89 158.59 30.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -154.44 137.0 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -131.09 158.31 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p -142.66 146.9 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -108.87 138.08 45.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD21 ' CE1' ' A' ' 79' ' ' TYR . 32.4 tp -119.55 135.05 54.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -121.58 140.38 52.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 21' ' ' CYS . 39.2 t -126.28 117.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.87 160.42 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.437 HD12 ' CE ' ' A' ' 73' ' ' LYS . 4.3 mp -89.16 117.47 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -56.47 -49.53 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 t -110.88 110.87 21.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.59 -158.01 27.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.48 62.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -96.89 122.23 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.5 m -87.66 150.24 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -75.21 -53.29 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 p -72.11 145.28 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.88 -169.12 26.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -144.63 111.83 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -167.02 152.27 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.73 -170.67 38.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.436 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 92.7 mt -120.16 130.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.18 144.74 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -87.06 103.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -66.89 -44.44 80.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -112.35 112.65 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.98 151.49 24.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.43 147.96 47.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -116.86 136.92 52.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 129.39 6.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 149.08 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -130.54 108.5 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.04 -179.02 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -106.05 167.13 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.9 p -69.83 108.23 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.07 -6.18 39.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.88 169.96 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -102.73 122.17 43.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -93.93 139.24 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -132.04 116.11 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 mt -106.62 114.66 28.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -100.69 151.61 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.63 163.94 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -131.51 154.17 49.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 4.6 m -123.24 -175.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 p -85.89 -16.4 38.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' CG ' HG12 ' A' ' 8' ' ' ILE . 57.0 mm-40 -113.78 -177.74 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.04 156.6 27.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 37.57 37.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.76 -176.13 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.62 92.23 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG12 ' CE1' ' A' ' 64' ' ' HIS . 3.4 m -83.93 157.79 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' MET . 26.9 mttm -117.27 116.45 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -91.75 139.59 30.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -134.74 131.83 38.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -101.36 107.99 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' OD1' ' CB ' ' A' ' 77' ' ' ALA . 35.6 m120 63.83 27.28 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.95 -24.64 30.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -81.5 142.48 32.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.74 139.84 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 48' ' ' ILE . 38.3 mt -93.19 145.91 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 ' N ' HD11 ' A' ' 48' ' ' ILE . 4.7 mp -133.25 89.59 32.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.8 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.63 -175.85 34.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.25 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -126.22 42.75 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 m -130.23 164.11 25.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -82.22 -42.84 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -80.99 136.48 36.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 30.3 mtp180 -133.35 108.52 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -89.38 120.13 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -116.36 140.08 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.55 119.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -125.77 100.32 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.37 -116.36 7.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -109.68 16.3 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -134.72 132.81 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CE1' HG12 ' A' ' 38' ' ' VAL . 15.2 m-70 -97.48 165.95 11.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -147.01 116.62 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.0 tp -101.45 111.13 23.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.93 138.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.59 104.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.53 107.77 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.56 91.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.94 99.38 12.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 p -94.84 178.53 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -49.89 -45.42 50.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.28 91.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.17 -31.01 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . . . -67.91 91.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' CB ' ' OD1' ' A' ' 43' ' ' ASN . . . -145.17 171.51 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -78.47 102.03 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.46 113.9 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -121.42 136.71 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.8 169.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LYS . 7.2 tmm? -150.77 110.67 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.8 p -97.02 -176.35 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.4 p -65.73 -7.2 14.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -169.55 33.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.61 164.41 33.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -154.72 139.3 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -137.1 159.79 40.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 p -141.18 149.94 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.36 140.56 19.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -99.07 124.39 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.1 tp -111.71 114.66 27.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -102.52 130.29 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 76' ' ' ALA . 29.5 t -109.59 131.77 59.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.12 165.19 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.8 mp -94.93 119.93 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -68.6 -54.37 16.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.9 p -111.39 130.99 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.17 149.41 17.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -16.89 38.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.4 m -40.2 120.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.3 m -66.86 -55.27 15.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -109.68 108.29 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -38.45 110.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.89 135.08 7.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -78.8 113.25 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -48.72 131.41 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' HE2' ' A' ' 9' ' ' MET . . . 146.21 162.6 9.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 79.4 mt -95.01 121.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.414 ' HE2' ' C ' ' A' ' 7' ' ' GLY . 11.4 mmt -99.64 139.64 35.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.42 99.02 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -64.42 -47.79 77.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -105.77 98.09 7.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.28 155.82 36.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 mt -64.87 149.49 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -121.16 139.72 52.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 1.3 t0 -46.37 129.88 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -124.35 128.25 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.4 m -111.34 104.73 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.66 -179.66 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -107.78 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -73.81 116.04 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.15 -28.28 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.62 167.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -99.91 127.83 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 26' ' ' GLU . 40.4 t -100.46 141.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 25' ' ' VAL . 13.2 mt-10 -133.78 105.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.3 mt -94.63 110.5 22.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 8.8 tt0 -100.6 147.59 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.8 p -159.83 165.53 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.17 156.48 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 4.7 m -126.11 -178.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -81.37 -33.06 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -99.85 179.02 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.7 p30 -112.4 164.2 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.4 m-20 34.98 46.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.36 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -129.17 88.62 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -77.31 161.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.4 mtmt -118.68 111.73 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CE3' HD21 ' A' ' 66' ' ' LEU . 52.6 m95 -86.64 133.86 33.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 34.7 m-85 -128.0 135.21 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.486 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 17.3 tttt -103.32 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.0 m120 68.6 29.08 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.55 -24.67 30.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -81.58 142.84 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -83.13 127.3 33.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 48' ' ' ILE . 58.7 mt -82.37 137.47 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.472 ' N ' HG23 ' A' ' 47' ' ' ILE . 4.8 mp -121.58 90.34 47.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.14 -166.95 30.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.644 2.229 . . . . 0.0 112.415 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 61.69 41.38 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -118.06 163.76 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -78.14 -46.21 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -94.33 138.42 32.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -138.98 105.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.2 mt -81.04 117.14 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -122.53 136.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -113.39 133.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -131.73 108.57 9.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.17 -104.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -120.56 20.16 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -137.67 136.17 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' C ' HD12 ' A' ' 65' ' ' ILE . 20.2 m-70 -101.22 159.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.417 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -142.31 110.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.558 HD21 ' CE3' ' A' ' 40' ' ' TRP . 40.9 tp -95.37 103.91 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -92.05 146.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.597 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 17.0 mt -131.38 102.89 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.57 108.32 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.59 82.64 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.7 93.28 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -94.73 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' THR . 3.2 mptp? -34.19 -51.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.64 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.2 OUTLIER -44.41 -41.08 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . -48.07 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.51 165.22 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.91 100.75 8.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 72.5 m-85 -86.55 111.78 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -118.48 136.18 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -99.5 163.7 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -144.05 120.14 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.1 p -113.34 176.14 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.8 p -47.54 -35.67 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.92 45.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.18 158.3 30.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -154.75 141.01 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -145.11 161.7 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.4 t -147.45 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.51 178.15 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -125.41 122.03 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 tp -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -94.63 130.18 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 t -112.15 130.7 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.78 167.37 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.87 117.01 31.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -59.41 108.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.6 p -127.17 98.71 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.28 -158.07 9.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.19 34.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -111.57 121.19 44.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -83.41 -59.0 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -134.04 96.67 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.809 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -172.08 143.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.14 -167.97 38.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -93.09 79.62 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -42.57 105.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.37 170.43 41.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' GLY . 92.5 mt -113.03 133.03 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.405 ' N ' HG22 ' A' ' 8' ' ' ILE . 7.5 mmt -110.49 133.81 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.67 98.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -61.66 -38.92 89.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 13.5 ttmm -118.1 110.71 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -78.56 152.79 31.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 26.1 mt -57.01 154.86 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 58.3 mt-10 -123.89 124.87 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -34.43 137.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -131.14 147.96 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 m -128.94 104.89 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.92 173.02 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' CD2' ' HE3' ' A' ' 97' ' ' LYS . 64.8 m-85 -108.58 159.54 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 t -54.4 108.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.91 8.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.1 169.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' NE ' HG13 ' A' ' 67' ' ' ILE . 39.1 ttt180 -102.96 123.41 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 26' ' ' GLU . 47.2 t -94.66 137.68 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 25' ' ' VAL . 37.6 mt-10 -133.84 103.9 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.51 109.22 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -95.89 158.99 15.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.9 p -167.01 168.25 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 23.5 mt-10 -133.17 154.6 50.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' CB ' ' A' ' 36' ' ' ALA . 3.5 m -126.45 -176.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.7 p -76.5 -36.11 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' CG ' HG12 ' A' ' 8' ' ' ILE . 1.1 pt-20 -116.26 177.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.29 162.69 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.5 m-20 35.43 37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' VAL . . . -68.38 105.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -52.83 87.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m -88.11 163.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.1 mmtt -120.57 115.11 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.565 ' CE3' HD13 ' A' ' 66' ' ' LEU . 65.8 m95 -92.0 128.04 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 71.9 m-85 -121.09 141.1 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.4 tttt -105.28 93.44 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 69.39 30.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 -29.54 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.28 150.78 33.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.55 134.47 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.25 141.98 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 mm -130.34 89.86 43.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.42 -168.17 25.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -39.54 6.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -106.58 42.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.7 m -129.16 166.56 19.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.63 -45.35 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.412 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 47.1 m-85 -79.72 144.19 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 31.2 mtp180 -141.37 113.66 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG21 ' NE1' ' A' ' 40' ' ' TRP . 22.9 mt -92.93 132.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 49.3 ttm-85 -117.71 154.56 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 84.6 t -125.28 125.43 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.4 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -114.04 21.07 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -135.62 145.67 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' C ' HD12 ' A' ' 65' ' ' ILE . 19.5 m-70 -115.28 160.34 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -147.95 113.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.565 HD13 ' CE3' ' A' ' 40' ' ' TRP . 8.8 tt -96.18 112.97 24.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -98.2 143.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 23.9 mt -127.64 104.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -71.77 108.31 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.2 80.54 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.55 88.8 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.409 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -84.26 161.61 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' THR . 34.4 mmtt -37.21 -58.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.82 -47.7 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 72' ' ' THR . 1.1 m-20 -41.48 -36.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.41 93.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.05 171.19 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.4 101.75 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 57.0 m-85 -87.51 114.36 24.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.9 m -126.23 142.89 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -105.26 166.56 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttm -147.11 135.77 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.447 ' HG1' ' N ' ' A' ' 86' ' ' GLY . 46.5 p -126.35 177.89 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -53.69 -18.0 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -165.31 46.64 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.447 ' N ' ' HG1' ' A' ' 83' ' ' THR . . . -169.06 161.0 34.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -154.55 141.12 18.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -135.03 153.82 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 p -135.65 150.41 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -153.61 146.13 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -99.54 138.55 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.7 tp -125.0 109.14 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -99.4 116.65 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.03 113.34 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.54 165.97 11.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.3 104.82 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 20' ' ' TYR . 14.9 ttmt -44.48 148.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t 64.08 43.05 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -121.81 -95.24 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 107.74 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.6 p -152.39 140.86 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.1 m -99.49 175.29 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.79 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.532 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -68.41 145.61 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -56.83 95.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.87 -167.82 41.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -102.86 136.73 42.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -123.14 83.06 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.86 179.81 16.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.438 ' N ' ' OG1' ' A' ' 84' ' ' THR . 80.2 mt -118.35 129.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -109.14 141.65 41.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.461 HG13 ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.29 98.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 p -63.26 -49.29 74.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.9 tttp -98.63 102.83 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.461 ' NE2' HG13 ' A' ' 10' ' ' VAL . 36.2 mm-40 -73.18 162.66 29.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.5 mt -68.79 155.8 39.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -124.15 139.24 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 134.56 18.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 18' ' ' THR . 92.6 m -130.47 141.95 50.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 17' ' ' THR . 90.4 m -123.1 104.13 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.7 177.26 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.511 ' CG ' ' HG3' ' A' ' 97' ' ' LYS . 38.4 m-85 -109.42 173.22 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.4 111.88 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.93 -18.25 52.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 57.8 mt-10 -69.48 164.9 22.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 122.51 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 26' ' ' GLU . 43.9 t -94.51 140.22 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' N ' HG11 ' A' ' 25' ' ' VAL . 20.6 mt-10 -132.83 111.41 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 mt -103.17 116.38 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.73 150.33 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.5 p -161.07 175.77 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 40.4 mt-10 -137.94 162.83 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.43 -175.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -86.42 -34.29 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -123.64 132.93 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -57.4 174.67 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.6 p30 38.46 43.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.15 99.15 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -57.62 90.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -80.33 157.45 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 25.0 mttm -114.1 114.04 25.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CE3' HD21 ' A' ' 66' ' ' LEU . 76.1 m95 -91.13 129.67 37.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 74.3 m-85 -124.71 136.33 53.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -105.41 99.23 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.89 28.02 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.68 -22.65 38.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -83.01 147.16 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -82.88 132.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -88.5 136.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 48' ' ' ILE . 4.8 mp -122.19 89.7 48.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.91 -177.13 39.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.5 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.375 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -132.87 -35.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 54' ' ' ARG . 1.7 t -47.23 174.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -99.1 -29.85 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.21 144.97 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp180 -132.62 107.44 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 20.7 mt -90.39 117.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' CD ' ' OE1' ' A' ' 60' ' ' GLU . 19.6 ttm105 -115.44 157.3 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 64' ' ' HIS . 85.3 t -127.8 125.47 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' OE1' ' CD ' ' A' ' 58' ' ' ARG . 1.6 mp0 -124.48 103.53 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.1 -104.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -116.31 14.24 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -131.22 134.3 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.569 ' CE1' HG23 ' A' ' 59' ' ' VAL . 23.5 m-70 -100.4 162.56 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD11 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.74 116.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' CE3' ' A' ' 40' ' ' TRP . 42.6 tp -102.1 108.27 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -97.98 133.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -115.69 108.31 24.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.44 110.94 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.33 83.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.38 105.81 18.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -103.14 155.03 18.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' THR . 2.6 mmmp? -34.32 -44.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.35 73.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -46.67 -36.02 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 91.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.59 167.54 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.94 102.88 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CE1' HD22 ' A' ' 92' ' ' LEU . 72.5 m-85 -86.55 113.29 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -121.65 135.93 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.26 165.18 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -145.84 115.23 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.4 p -101.86 -174.96 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 45.3 p -57.37 -31.3 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.19 34.93 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.19 166.59 32.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 88' ' ' SER . 32.8 tt0 -154.76 155.89 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.47 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 14.6 t -148.21 159.75 43.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 p -149.2 142.2 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.55 -175.04 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -132.12 127.43 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 79' ' ' TYR . 19.0 tp -111.88 104.48 12.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -93.86 126.37 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -108.33 130.28 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.19 166.68 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.7 mt -107.94 111.11 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.511 ' HG3' ' CG ' ' A' ' 20' ' ' TYR . 24.1 mtpt -52.7 -45.71 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.2 p -88.15 129.51 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -40.83 147.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.75 -37.91 8.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 100' ' ' PRO . 54.2 p -34.65 127.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -90.33 156.03 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -127.92 128.54 45.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -101.12 135.52 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 138.85 3.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -110.45 -51.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -89.04 166.92 13.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 -177.41 45.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.8 mt -113.55 128.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -108.17 134.05 51.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.32 100.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -117.06 99.93 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -68.46 160.78 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 90' ' ' ALA . 46.8 mt -63.79 152.87 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -122.28 136.01 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.91 132.74 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.2 m -128.42 144.96 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.8 m -129.21 106.61 8.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.58 -178.54 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -112.71 171.95 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 t -67.47 113.7 5.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.64 -30.54 9.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.0 160.05 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.33 124.66 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG11 ' CD1' ' A' ' 92' ' ' LEU . 43.5 t -95.93 136.89 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -130.96 117.04 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 34.5 mt -106.32 111.68 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -99.2 147.91 24.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.9 p -159.25 163.05 36.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -126.67 157.76 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -129.7 -177.87 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -86.63 -28.79 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.64 140.33 51.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -63.16 166.1 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.475 ' N ' ' CG ' ' A' ' 34' ' ' ASP . 13.5 t0 35.78 51.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' O ' ' CE1' ' A' ' 64' ' ' HIS . . . -85.33 99.17 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -55.47 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' ALA . 12.6 m -84.62 160.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 43.4 mttt -118.18 110.79 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.539 ' CE3' HG12 ' A' ' 81' ' ' VAL . 67.1 m95 -85.98 120.36 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 49.3 m-85 -113.55 139.51 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -106.37 103.69 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.3 m120 65.51 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.67 -28.65 11.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.07 151.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.62 132.62 34.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 48' ' ' ILE . 67.3 mt -90.05 133.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' N ' HG21 ' A' ' 47' ' ' ILE . 16.7 mm -122.7 90.07 49.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.64 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.14 -169.87 33.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -18.27 36.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.39 48.75 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -127.86 164.72 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -86.32 -42.38 13.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -79.83 136.24 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 8.5 mtt-85 -128.73 112.95 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.8 mt -97.96 110.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -109.51 147.85 32.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.572 ' CG2' ' CE1' ' A' ' 64' ' ' HIS . 72.7 t -116.9 105.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.5 -105.69 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -115.82 10.48 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -126.52 134.09 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' CE1' ' CG2' ' A' ' 59' ' ' VAL . 22.8 m-70 -95.96 159.95 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.15 118.33 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 HD23 ' CE3' ' A' ' 40' ' ' TRP . 14.0 tp -104.06 110.75 23.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -101.75 137.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' OD2' ' A' ' 75' ' ' ASP . 19.1 mt -119.99 104.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.55 106.6 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.99 78.52 1.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.51 93.29 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.08 168.48 13.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -45.44 -32.52 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.72 -48.42 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD2' ' CG2' ' A' ' 68' ' ' ILE . 7.2 t0 -39.59 -38.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.69 169.93 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.6 103.1 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -91.29 113.05 25.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -120.3 134.86 55.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.8 m -99.53 164.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 ttm -143.33 123.7 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.3 p -112.99 -175.86 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 p -62.95 -27.27 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -153.29 42.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.79 163.71 36.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 88' ' ' SER . 27.7 tt0 -154.57 155.07 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 8.5 t -147.08 159.24 43.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 p -147.3 145.9 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB3' ' CB ' ' A' ' 14' ' ' LEU . . . -141.64 175.73 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -128.03 117.44 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' CD1' HG11 ' A' ' 25' ' ' VAL . 34.8 tp -107.31 124.72 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -117.69 126.85 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.7 t -106.82 121.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.03 163.37 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.9 mt -93.34 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -77.75 144.2 37.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.9 p -80.4 95.64 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.15 -95.02 0.16 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.64 23.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 p -90.86 -44.54 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 t -90.05 -51.52 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -130.98 41.99 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -162.28 151.67 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.32 -76.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -100.3 108.1 20.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -118.86 126.87 52.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.03 175.33 40.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.9 mt -100.05 135.31 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.5 mmt -113.39 138.46 50.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.92 100.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -67.09 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -119.46 97.72 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' NE2' ' HG ' ' A' ' 88' ' ' SER . 21.9 mm100 -62.76 155.2 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 90' ' ' ALA . 16.8 mt -62.88 155.99 25.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -125.18 126.32 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.82 135.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 18' ' ' THR . 72.6 m -127.65 140.35 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.427 ' N ' HG23 ' A' ' 17' ' ' THR . 28.5 m -127.02 113.49 16.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.44 152.37 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.65 172.07 13.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' ASP . 49.0 t -68.85 119.75 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.76 -16.92 57.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -73.0 164.47 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -99.99 122.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 26' ' ' GLU . 59.8 t -93.48 139.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 25' ' ' VAL . 40.3 mt-10 -133.08 121.07 22.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.4 mt -110.98 112.32 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 7.8 tt0 -100.2 149.98 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.1 p -164.1 160.96 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -124.04 160.78 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -131.37 178.01 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 t -79.31 -30.01 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -103.76 164.97 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.05 156.76 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 39.75 49.97 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 179.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -129.22 92.4 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.2 m -82.29 159.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 26.3 mttp -114.73 111.1 20.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' HG13 ' A' ' 81' ' ' VAL . 66.2 m95 -85.88 129.29 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.3 m-85 -124.15 132.26 53.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 25.2 tttm -82.88 97.53 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 78' ' ' GLU . 10.2 p30 50.55 24.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.02 3.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.8 146.48 48.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.49 120.95 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -84.62 131.67 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.4 mm -120.87 90.09 46.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -174.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.7 -169.97 31.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -24.99 29.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.266 . . . . 0.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -124.48 47.15 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.2 m -129.26 164.06 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -83.88 -43.95 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -84.32 143.27 29.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.1 mtp85 -135.2 110.12 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.6 mt -94.8 117.08 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -119.41 145.63 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.31 121.93 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -120.91 103.04 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.89 -107.01 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -119.2 18.82 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -135.21 141.81 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -104.31 157.09 17.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.95 112.52 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.3 tp -98.56 104.08 16.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -91.4 143.57 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.7 mt -126.92 101.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -69.77 110.38 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.5 87.51 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.85 91.55 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.5 p -89.25 163.98 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -46.39 -28.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -35.74 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -15.65 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.03 93.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.76 163.93 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ASN . 32.9 tt0 -76.37 103.96 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -86.43 113.72 22.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.2 m -119.69 135.47 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.562 HG13 ' CE3' ' A' ' 40' ' ' TRP . 1.5 m -99.33 158.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.5 ttm -135.67 127.09 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.6 p -118.28 -179.85 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.7 p -57.76 -31.35 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.32 42.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.9 162.26 36.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 88' ' ' SER . 50.7 tt0 -153.96 156.13 36.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.457 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.7 t -147.8 160.17 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.1 p -138.98 147.43 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 14' ' ' LEU . . . -149.96 141.25 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -98.76 126.39 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.443 ' CD1' HG11 ' A' ' 25' ' ' VAL . 23.6 tp -110.35 117.0 32.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -105.8 130.17 53.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.6 t -105.62 136.87 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' CYS . 7.2 t0 -125.68 167.19 15.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.418 HD22 ' CB ' ' A' ' 21' ' ' CYS . 12.6 mt -109.11 133.3 53.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 98' ' ' SER . 1.5 tmtp? -79.8 111.93 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 16.0 m -113.99 81.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.18 -80.56 0.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 150.56 68.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.217 . . . . 0.0 112.309 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.0 m -50.62 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -151.46 129.14 11.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.543 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -59.65 137.87 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -63.98 135.22 56.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.67 103.31 2.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -69.13 98.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -71.69 -60.46 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.26 172.26 31.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.9 mt -102.35 125.52 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 11.4 mmt -101.86 148.02 25.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.0 t -87.68 98.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -63.49 -41.02 98.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 31.5 tttp -117.68 112.33 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -78.24 157.7 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.38 169.53 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -137.74 136.63 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.86 129.42 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 18' ' ' THR . 8.9 m -124.28 152.74 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 17' ' ' THR . 84.7 m -137.07 106.64 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.71 175.44 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 79.4 m-85 -104.2 160.74 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.41 108.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.83 -14.33 34.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.13 166.3 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' NE ' HG13 ' A' ' 67' ' ' ILE . 18.1 ttt180 -101.19 118.55 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.2 t -93.25 140.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.86 109.05 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.3 mt -99.78 112.84 25.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.425 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 5.5 tt0 -102.1 150.27 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.3 p -161.42 169.86 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 37.5 mt-10 -134.61 151.41 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.26 -175.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' MET . 38.9 t -79.82 -42.18 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.52 172.47 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -105.15 168.01 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 35.68 42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.57 165.95 15.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -113.8 96.23 5.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.83 156.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 31.5 mtpt -112.32 110.95 21.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.576 ' CE3' ' CD2' ' A' ' 66' ' ' LEU . 72.8 m95 -85.92 132.33 34.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 39.7 m-85 -125.97 140.8 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 23.2 tttt -101.18 92.08 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 68.41 34.2 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.1 -28.83 14.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.2 144.91 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 35.7 tt0 -81.71 132.64 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -91.24 135.73 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -121.44 90.74 47.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.94 -166.96 29.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -29.53 23.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -119.6 42.7 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 m -126.68 143.54 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.2 -24.71 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CE2' ' NE ' ' A' ' 54' ' ' ARG . 83.4 m-85 -94.38 136.52 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 mtp180 -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.98 109.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -110.85 139.84 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.51 130.23 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -132.66 106.43 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.01 -110.24 3.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -114.98 14.91 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -132.3 136.18 46.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' C ' HD12 ' A' ' 65' ' ' ILE . 15.2 m-70 -103.1 159.8 15.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.63 107.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.576 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 40.7 tp -93.87 104.26 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.464 HG13 ' NE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -91.19 142.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.1 mt -128.74 102.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.45 128.38 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.87 90.44 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 p -80.97 178.34 8.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 mptp? -58.25 -32.39 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.85 -29.85 68.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.04 89.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -143.98 171.71 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.85 100.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.562 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 81.5 m-85 -86.83 116.52 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -124.54 137.23 54.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 m -100.06 157.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 ttm -136.58 123.47 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 p -115.57 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -58.07 -34.36 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -148.81 45.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.61 159.72 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -153.16 150.68 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -146.48 158.9 43.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -144.27 151.16 39.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.87 -177.63 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -133.81 112.77 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.1 tp -106.53 124.08 49.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -117.35 127.52 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.7 t -104.03 132.41 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.07 167.37 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.436 ' HG ' ' CE ' ' A' ' 73' ' ' LYS . 22.7 mt -101.4 119.63 39.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 20' ' ' TYR . 39.8 tttp -86.65 105.08 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m -108.83 104.38 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -151.78 164.68 30.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.7 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.82 143.17 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -92.98 -48.54 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.485 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -95.24 139.81 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 62.33 42.4 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.48 170.91 12.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -93.49 120.86 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -119.52 90.23 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.3 -172.05 18.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 63.5 mt -116.59 128.62 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mmt -108.06 139.85 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.51 98.08 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -66.01 -48.88 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -104.52 103.94 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -71.84 160.53 32.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.68 145.77 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -112.58 137.32 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.98 125.55 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -115.77 144.06 44.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -126.87 104.17 7.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.32 175.87 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -106.54 163.86 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.82 103.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.02 -22.47 16.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.92 165.53 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' CZ ' HG13 ' A' ' 67' ' ' ILE . 5.1 ttt85 -103.6 118.71 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 26' ' ' GLU . 53.3 t -93.46 140.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' N ' HG12 ' A' ' 25' ' ' VAL . 26.1 mt-10 -133.43 103.06 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -93.95 110.21 21.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 15.3 tt0 -100.6 152.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.439 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 12.9 p -165.05 172.83 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -140.64 153.91 46.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 24.1 m -125.89 179.32 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -79.49 -39.58 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.21 172.46 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 15.8 p30 -108.14 167.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 12.4 m-20 34.67 36.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -79.15 166.1 22.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -121.3 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -77.56 159.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 39.5 mtmt -115.09 110.99 20.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD11 ' A' ' 66' ' ' LEU . 56.9 m95 -86.34 133.48 33.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.5 m-85 -126.35 139.51 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -104.74 91.19 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 73.78 25.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.38 -35.01 4.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.27 148.21 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.2 141.96 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.9 mt -97.21 128.23 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.63 89.56 28.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.04 4.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.36 -173.41 41.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -0.15 6.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -132.64 -37.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.5 m -47.27 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -86.77 -45.37 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.95 151.69 31.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 22.9 mtp180 -140.75 115.64 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.43 112.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -107.49 144.09 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -113.09 122.3 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 24.4 mm-40 -131.41 113.92 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.89 -117.1 6.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -111.01 19.37 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.2 146.92 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -113.42 152.53 29.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -143.26 108.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD11 ' CE3' ' A' ' 40' ' ' TRP . 9.2 tt -95.41 111.15 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.468 HG13 ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -94.79 142.49 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 42.1 mt -123.38 109.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.72 103.53 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 82.2 1.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.52 90.03 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.9 p -82.95 170.77 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -48.87 -44.89 40.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.23 86.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -46.65 -31.19 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.419 ' CB ' HG22 ' A' ' 94' ' ' VAL . . . -59.9 96.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.93 170.5 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.71 100.8 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE1' HD23 ' A' ' 92' ' ' LEU . 76.5 m-85 -87.61 114.41 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.1 m -123.44 139.91 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -100.98 164.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.8 ttm -144.42 124.0 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.7 p -113.8 -174.92 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.0 p -61.35 -30.48 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.47 45.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.34 163.92 36.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -154.57 152.63 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -143.35 157.72 44.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 p -138.39 152.77 48.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.55 156.39 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -112.0 123.79 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.47 HD23 ' CE1' ' A' ' 79' ' ' TYR . 21.8 tp -110.82 111.69 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m -101.48 119.94 39.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.419 HG22 ' CB ' ' A' ' 76' ' ' ALA . 97.3 t -104.47 121.37 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.56 167.14 11.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.92 117.94 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -55.88 143.7 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -80.46 123.51 28.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.36 -157.3 27.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 106.93 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 102' ' ' SER . 13.1 t -112.3 139.26 47.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' SER . 70.0 p -35.77 -42.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -120.81 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -50.22 -44.2 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.58 84.56 0.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -77.71 159.87 28.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -87.48 93.48 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' C ' ' HE2' ' A' ' 9' ' ' MET . . . 116.45 165.84 14.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 70.0 mt -97.71 126.31 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.406 ' HE2' ' C ' ' A' ' 7' ' ' GLY . 10.9 mmt -106.83 134.44 49.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -77.72 101.65 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 p -67.83 -46.06 72.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.04 95.56 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -62.79 155.97 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.17 147.88 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.11 132.86 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.74 126.91 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 18' ' ' THR . 89.5 m -116.99 141.09 48.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.421 ' N ' HG23 ' A' ' 17' ' ' THR . 89.2 m -120.56 103.33 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.66 175.28 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.7 178.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 95' ' ' ASP . 7.9 p -70.1 127.3 32.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.84 13.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -61.38 172.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.54 124.66 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.04 134.18 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.48 106.33 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.4 mt -97.6 110.68 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -100.92 149.1 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 p -161.27 167.6 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -130.82 158.73 39.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 9.6 m -130.14 -177.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 t -80.87 -40.38 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -91.98 172.72 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 13.1 p-10 -107.62 157.77 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.2 t70 38.21 45.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.69 -179.79 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -128.84 89.62 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -81.01 153.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 62.4 mttt -109.01 112.94 25.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' HD22 ' A' ' 66' ' ' LEU . 65.4 m95 -87.43 130.11 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 52.0 m-85 -126.31 130.12 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -81.95 99.0 8.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 10.5 p30 50.96 26.08 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.58 -30.59 6.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.6 130.95 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.85 117.55 13.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -84.3 136.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 48' ' ' ILE . 5.4 mp -122.19 94.59 47.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.465 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.4 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.39 -174.12 37.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -27.73 26.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.88 -21.69 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -56.46 172.84 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -29.19 12.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.69 135.14 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 2.2 mpt_? -123.86 122.84 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 26.4 mt -107.12 107.63 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -111.08 139.78 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.19 122.1 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -119.42 106.2 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.22 -106.49 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -117.31 18.43 14.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -136.03 139.5 43.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -104.61 162.54 13.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -144.51 113.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.3 tp -98.5 107.1 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -97.04 148.66 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.579 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 17.9 mt -133.08 105.65 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 56' ' ' ARG . 30.8 mt-10 -77.08 102.34 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.93 71.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.82 95.16 5.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.76 169.95 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -52.04 -50.93 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.01 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.7 m-20 -48.76 -34.45 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.27 89.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -144.57 168.46 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ASN . 34.2 tt0 -77.61 103.97 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 64.8 m-85 -86.39 115.12 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.5 m -121.32 139.27 53.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -101.09 163.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 ttm -141.1 130.67 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.1 p -123.52 -178.99 4.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.4 p -57.29 -31.42 65.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.13 46.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.16 161.14 33.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HG2' ' N ' ' A' ' 88' ' ' SER . 37.6 tt0 -153.31 156.29 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.8 t -148.18 159.11 44.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -141.57 146.79 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -148.51 143.94 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.5 mtpm? -101.18 125.57 47.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -111.07 106.78 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -94.4 109.1 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -89.61 124.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' CYS . 9.9 t0 -106.92 165.98 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 12.3 mt -113.23 112.22 23.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -47.13 141.05 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.7 t -113.98 159.55 19.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.43 -160.23 15.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -1.5 8.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.4 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.25 138.6 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -64.2 87.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -50.47 112.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -46.07 -51.73 13.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.36 -131.53 4.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -133.4 131.35 39.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.56 113.97 27.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 171.3 34.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.5 mt -105.81 126.54 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.8 mmt -105.24 138.17 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.34 99.87 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 p -65.26 -45.63 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 42.5 tttp -109.44 94.38 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -67.11 154.35 41.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.62 157.77 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.8 134.66 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 139.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 18' ' ' THR . 95.5 m -140.07 138.51 35.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.463 ' N ' HG21 ' A' ' 17' ' ' THR . 64.8 m -121.31 108.69 14.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.96 175.95 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 45.3 m-85 -105.27 172.83 6.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -67.61 116.99 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -21.87 41.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 26.8 mt-10 -58.79 168.09 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 26.1 ttt180 -104.35 119.51 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 t -95.04 138.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CD ' ' NH2' ' A' ' 24' ' ' ARG . 10.4 mt-10 -133.28 109.25 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.1 mt -99.62 112.32 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 63' ' ' LYS . 5.4 tt0 -100.38 152.18 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -163.21 170.72 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 18.4 mt-10 -137.56 158.0 45.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 13.2 m -128.12 -176.09 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -85.05 -32.41 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' CG ' HG12 ' A' ' 8' ' ' ILE . 15.5 mm-40 -96.67 -179.85 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.19 153.49 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 38.91 44.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.42 -178.12 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -126.54 87.8 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.29 153.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -110.51 110.94 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CD1' HG12 ' A' ' 57' ' ' ILE . 76.4 m95 -87.35 129.46 35.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -122.67 140.79 52.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -108.54 92.48 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 74.47 26.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -28.41 13.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.41 144.97 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -83.57 122.03 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.17 134.02 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.7 mm -122.48 90.24 49.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.39 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.41 -167.83 32.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.05 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -131.5 45.42 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 m -122.57 161.89 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.76 -46.43 15.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -83.39 147.55 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 69' ' ' GLU . 17.4 mtt180 -137.17 108.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 40' ' ' TRP . 19.2 mt -89.55 113.07 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -105.04 155.12 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.9 114.15 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -123.2 102.33 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.45 -113.48 5.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -112.87 19.04 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -132.6 137.96 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -105.75 155.48 19.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.8 110.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.4 tp -95.37 103.71 15.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.92 149.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.57 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 34.0 mt -131.77 101.05 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' A' ' 56' ' ' ARG . 43.2 mt-10 -67.85 103.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.88 90.8 0.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.93 91.87 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -87.03 175.07 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -53.57 -38.84 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.99 -36.37 82.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.3 -28.8 65.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 92.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.92 169.79 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.41 105.42 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -87.1 112.87 22.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 m -123.6 135.15 53.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.1 m -100.45 165.32 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.4 ttp -147.34 121.01 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 81.5 p -113.75 -175.44 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.8 p -57.39 -33.8 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.01 45.81 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.14 159.78 33.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -153.09 150.1 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -143.47 161.87 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 p -146.39 146.42 30.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -150.57 144.19 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -97.8 128.96 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.9 tp -114.38 108.57 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 112.88 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.55 120.62 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -108.68 148.23 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.2 mt -88.4 114.33 24.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 3.7 ttpm? -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.3 t -116.66 100.71 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.25 -158.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -25.7 28.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -43.18 134.6 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.6 t -74.21 122.86 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -67.4 129.39 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -42.13 147.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.83 168.86 28.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 m -79.37 171.91 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 m -63.12 92.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.88 167.89 53.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.9 mt -104.77 119.95 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 85' ' ' GLY . 7.2 mmt -100.57 139.1 36.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.21 100.61 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -65.65 -39.59 91.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 48.5 tttp -118.26 100.61 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -62.76 154.16 30.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.54 157.89 16.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -123.96 133.25 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.88 136.48 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.2 m -125.94 148.86 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -126.68 107.54 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.83 175.25 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 95' ' ' ASP . 31.0 m-85 -112.85 176.4 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' CB ' HD22 ' A' ' 96' ' ' LEU . 51.7 t -70.93 106.93 3.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.23 -3.13 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.97 164.58 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -104.71 119.87 40.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 26' ' ' GLU . 41.1 t -93.71 141.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 25' ' ' VAL . 57.8 mt-10 -131.7 111.32 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -101.4 112.34 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -100.49 147.49 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.7 p -159.54 162.61 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.8 mt-10 -125.39 154.53 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 m -128.21 171.73 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.5 t -71.96 -35.12 69.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.15 169.82 9.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -104.64 155.37 18.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 41.5 32.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.38 174.29 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -121.13 91.53 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.0 m -85.01 160.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 42.0 mtmt -116.6 115.23 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -89.25 131.55 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 42.8 m-85 -125.42 138.3 54.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.0 ttpt -103.55 91.36 4.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 71.62 34.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.46 -30.2 10.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.37 150.58 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -91.22 128.06 36.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 48' ' ' ILE . 58.7 mt -89.98 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 47' ' ' ILE . 29.6 mm -124.69 94.86 43.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.27 -167.72 28.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? 65.01 39.15 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -111.31 161.72 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -76.27 -45.79 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.43 137.59 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp85 -135.51 107.77 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.17 112.65 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -108.02 148.76 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.84 115.98 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -122.18 107.77 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.32 -111.18 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -116.45 16.74 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -131.76 135.23 46.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.544 ' CE1' HG13 ' A' ' 38' ' ' VAL . 18.4 m-70 -97.24 165.97 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.8 mp -149.75 111.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -97.0 105.21 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -94.73 140.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.9 mt -122.25 121.31 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -88.89 104.71 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.48 79.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.17 104.95 12.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 p -108.73 168.35 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -35.04 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.75 91.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.08 -21.0 64.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.85 90.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.74 172.07 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -76.05 107.46 8.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 54.3 m-85 -86.27 112.32 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 m -120.83 133.77 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.7 m -99.73 157.3 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -134.46 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -123.65 175.41 6.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 p -63.12 -7.02 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 9' ' ' MET . . . -170.26 42.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.55 158.29 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -152.46 145.26 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -138.46 162.91 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -143.73 150.57 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.04 159.73 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -110.05 139.4 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -128.16 118.79 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -105.0 141.18 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.4 t -118.49 121.45 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.575 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 3.7 t0 -110.32 167.66 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 21' ' ' CYS . 29.0 mt -105.91 124.12 49.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -90.66 88.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 m -153.74 106.74 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.78 -171.0 39.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 176.08 7.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.8 p -130.2 115.29 16.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.4 p -53.15 163.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -160.9 168.02 25.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -87.98 60.42 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.71 119.97 20.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -81.66 88.03 6.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -71.19 146.54 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 174.89 36.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' OG1' ' A' ' 84' ' ' THR . 95.2 mt -115.18 130.67 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mmt -109.64 135.06 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 p -77.7 101.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 p -65.1 -51.94 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -95.05 98.37 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.14 157.9 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' CD1' HG11 ' A' ' 81' ' ' VAL . 37.3 mt -71.3 136.31 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -103.66 149.17 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 130.89 47.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -119.48 151.47 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.3 m -130.08 103.62 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.31 178.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' C ' ' OE1' ' A' ' 23' ' ' GLU . 56.3 m-85 -110.24 161.12 15.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.47 114.79 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.62 -35.23 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 20' ' ' TYR . 10.4 mp0 -56.43 164.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.96 126.69 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' CG1' HD12 ' A' ' 92' ' ' LEU . 63.9 t -95.95 133.42 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -130.06 110.75 11.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 mt -101.54 119.88 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' CD ' ' HD3' ' A' ' 63' ' ' LYS . 8.3 tt0 -101.4 145.42 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.97 163.01 39.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -128.74 156.04 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.5 m -127.01 171.63 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -70.08 -33.34 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -102.82 174.49 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -107.0 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.6 t70 37.44 46.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 169.25 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -117.53 92.99 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -82.19 160.34 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.0 mppt? -117.66 111.81 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.436 ' CE3' HD22 ' A' ' 66' ' ' LEU . 56.7 m95 -86.89 137.36 32.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 43.5 m-85 -129.11 137.81 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 75' ' ' ASP . 4.9 tttp -100.35 99.58 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 63.85 29.53 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.94 8.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -75.02 146.63 41.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -81.89 131.55 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.1 mt -90.39 136.28 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -124.03 90.32 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.2 Cg_endo -69.75 177.56 5.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.297 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.84 -167.31 35.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -31.13 21.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.1 -39.71 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -48.44 161.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -87.48 -36.84 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.419 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 52.0 m-85 -82.46 147.47 28.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 15.5 mtt85 -142.17 110.55 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 29.9 mt -85.89 108.6 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -99.0 141.97 31.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.5 t -112.43 119.22 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.18 102.32 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.25 25.83 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.78 12.34 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HD3' ' CD ' ' A' ' 28' ' ' GLU . 6.4 ptpp? -128.53 143.82 51.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -105.35 163.15 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -145.75 112.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.436 HD22 ' CE3' ' A' ' 40' ' ' TRP . 38.3 tp -95.35 110.91 22.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.26 140.3 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 13.9 mt -124.7 101.94 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.7 104.87 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.55 81.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.61 92.09 8.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.49 167.75 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.5 -28.53 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -55.15 -37.79 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.82 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.99 169.09 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.22 104.05 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 88.1 m-85 -89.25 111.62 22.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.7 m -119.91 134.83 55.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 14' ' ' LEU . 1.8 m -100.03 162.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 ttp -146.35 106.06 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 82.8 p -92.23 -179.05 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 49.7 p -48.72 -32.68 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.3 30.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.76 27.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.65 143.2 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -144.69 161.82 38.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 p -143.38 141.63 30.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.22 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -123.08 122.85 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.415 HD12 ' CG1' ' A' ' 25' ' ' VAL . 16.0 tp -107.45 132.68 52.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -119.29 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.4 127.65 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -122.13 159.01 28.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.8 104.75 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 136.97 57.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -172.25 143.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.99 -152.44 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 87.65 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 60.74 38.43 18.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -93.91 -47.81 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' SER . 46.6 p -104.73 -27.87 11.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' SER . 28.4 m 34.94 52.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.59 145.4 18.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -105.02 38.3 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -46.42 -42.5 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.71 169.4 13.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.6 mt -106.84 130.24 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -108.9 135.52 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.6 99.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -65.35 -43.08 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -116.41 99.53 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.63 170.25 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 72.8 mt -77.45 150.24 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -116.34 138.03 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.1 121.94 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.6 m -116.42 143.21 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -121.76 112.83 18.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.59 167.08 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 97' ' ' LYS . 74.9 m-85 -102.15 164.62 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.48 102.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.51 -16.37 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.5 166.84 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -99.32 118.22 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG2' ' HB1' ' A' ' 71' ' ' ALA . 17.9 t -93.36 134.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.97 105.08 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -100.21 114.98 28.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -102.13 152.17 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.7 p -161.02 160.89 31.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.3 150.47 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.1 m -124.46 -176.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -82.63 -41.9 18.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -91.74 171.76 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -105.27 163.16 12.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.7 t0 34.76 39.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.47 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -132.1 89.97 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 m -83.6 158.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.7 mttm -115.03 110.85 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.5 m95 -85.04 127.68 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.8 m-85 -122.61 139.22 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -103.05 99.82 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 63.7 25.91 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.96 -30.95 7.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.58 149.88 38.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -89.49 131.75 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.05 140.63 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.22 90.41 50.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -175.2 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.13 -170.5 30.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -27.82 26.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -117.77 50.57 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.6 m -137.92 172.63 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -96.4 -41.13 8.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -82.6 139.37 33.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 3.0 mtp180 -134.78 104.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.5 mt -82.95 124.97 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -124.42 134.41 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG23 ' ND1' ' A' ' 64' ' ' HIS . 71.0 t -106.2 110.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.22 97.81 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.05 -104.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -111.95 7.93 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 136.59 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.421 ' C ' HD12 ' A' ' 65' ' ' ILE . 8.3 m170 -103.27 163.83 12.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.421 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -143.77 108.6 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.2 tp -89.19 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.425 ' CG2' ' HB2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -90.09 129.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.5 mt -121.47 102.87 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.0 129.39 37.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.45 76.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' HB1' ' CG2' ' A' ' 25' ' ' VAL . . . -82.46 110.67 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASP . 22.0 p -104.99 163.49 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -40.04 -40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.22 94.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.9 m-20 -55.72 -32.2 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB3' ' CG2' ' A' ' 94' ' ' VAL . . . -63.65 90.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.17 170.67 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -77.29 99.92 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -86.66 113.22 22.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -116.84 135.87 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.553 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -100.69 158.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -137.27 129.13 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 p -121.13 -177.97 3.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 p -55.49 -36.21 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -149.1 48.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.51 162.17 32.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -154.42 149.1 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -136.42 161.96 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.6 p -149.35 146.42 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -144.61 173.78 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -127.01 113.38 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.8 tp -102.98 124.83 49.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -112.44 132.25 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 76' ' ' ALA . 86.0 t -110.94 124.05 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.58 167.3 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.46 109.17 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 22.6 tptp -68.54 140.1 55.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -170.93 124.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.02 -157.87 7.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 2.81 3.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -97.64 111.56 23.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.3 t -104.25 154.39 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -53.46 176.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -72.0 111.69 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.73 -81.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -162.3 177.38 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -104.96 116.41 31.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.38 35.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.4 mt -101.28 133.84 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.0 mmt -107.49 139.0 42.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.67 99.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -65.5 -37.06 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.5 tttp -118.91 119.8 35.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.93 148.08 24.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt -56.22 144.55 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.28 135.54 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 1.4 t0 -44.17 129.43 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -121.34 138.14 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -121.51 102.85 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.31 173.25 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 93.3 m-85 -105.56 156.49 18.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.5 t -55.02 105.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.89 -21.38 20.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.7 172.76 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -106.87 121.69 44.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 26' ' ' GLU . 68.2 t -93.34 144.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 25' ' ' VAL . 69.5 mt-10 -133.56 104.09 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 mt -95.22 110.78 22.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 27.1 tt0 -100.31 154.52 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 31.3 p -167.59 173.68 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.5 mt-10 -140.34 160.09 40.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 29.1 m -130.24 -178.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 t -81.81 -38.54 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.4 175.11 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.8 p30 -108.68 165.66 11.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.2 m-20 34.48 38.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.54 173.01 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.8 96.15 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 m -83.9 155.04 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.7 mppt? -110.81 111.02 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CD1' HG23 ' A' ' 57' ' ' ILE . 78.5 m95 -84.83 132.96 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 47.2 m-85 -128.73 135.3 49.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 42.9 tttt -96.7 99.39 10.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.89 26.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.63 -33.75 5.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.0 148.17 40.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.93 138.86 33.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.7 134.86 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mm -117.52 92.78 41.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.458 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.81 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.21 -168.96 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -45.73 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -96.89 30.21 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 54' ' ' ARG . 1.4 t -109.54 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' OG ' ' A' ' 53' ' ' SER . 1.5 mpp_? -102.66 -29.67 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -95.53 151.73 19.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 mtp85 -139.22 107.68 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 14.3 mt -92.62 110.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 19.6 ttm180 -106.07 147.68 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.405 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 95.6 t -116.0 119.04 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 35.7 mm-40 -128.69 112.26 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.34 -115.83 7.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -114.13 16.49 18.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -128.3 146.99 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' C ' HD12 ' A' ' 65' ' ' ILE . 16.8 m-70 -112.83 152.87 28.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -139.89 107.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.3 tp -93.29 106.35 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -95.08 133.3 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' C ' HD11 ' A' ' 67' ' ' ILE . 18.3 mt -115.23 114.62 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.54 105.17 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.49 77.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.06 91.25 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.3 p -81.25 172.19 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -51.53 -46.28 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.77 84.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -43.54 -38.82 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.15 96.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.58 165.9 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -76.93 103.54 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 88.0 m-85 -86.63 111.65 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -117.26 135.81 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 m -99.62 165.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 ttm -146.5 113.92 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.5 p -103.31 -179.3 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.4 p -55.44 -30.49 60.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.25 43.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.83 163.86 37.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -154.43 150.0 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.4 t -144.86 160.75 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -146.15 147.69 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.91 161.17 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -112.88 122.7 48.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.404 HD11 ' CG1' ' A' ' 25' ' ' VAL . 21.6 tp -112.76 118.98 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t -110.38 129.72 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.1 t -107.17 119.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -110.65 147.44 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.32 105.79 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 58.6 tttm -83.47 -62.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -135.85 173.59 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -150.55 -90.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.21 35.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 m -66.17 98.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.4 p -44.53 159.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.527 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -85.9 100.74 12.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -94.13 101.13 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.79 106.37 0.45 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -44.71 132.02 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -127.8 150.91 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.5 172.57 18.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 9' ' ' MET . 97.3 mt -112.4 134.38 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.413 ' N ' HG21 ' A' ' 8' ' ' ILE . 11.0 mmt -107.18 151.38 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.7 t -89.71 99.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p -66.02 -48.94 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 78.7 tttt -107.26 97.85 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -68.4 156.46 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.6 mt -64.82 152.84 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.8 130.52 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.87 134.86 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -130.68 143.32 50.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.6 m -121.39 105.76 10.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.27 -178.44 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -111.63 159.85 17.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.97 114.95 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.22 -27.65 19.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.6 167.0 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -93.88 125.94 38.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 92' ' ' LEU . 61.4 t -103.76 129.75 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.49 114.97 15.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.87 117.51 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 9.3 tt0 -99.45 150.72 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -163.12 161.89 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 11.6 mt-10 -126.91 162.21 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 m -129.39 -176.78 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.61 -22.07 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -123.66 158.03 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 1.7 p30 -92.36 178.38 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.6 m-20 34.94 39.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.93 155.12 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -111.61 98.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.9 m -85.77 157.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 10.3 mmtm -112.92 114.04 26.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CE3' HG11 ' A' ' 81' ' ' VAL . 74.5 m95 -90.11 135.87 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 56.0 m-85 -127.67 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' CE ' ' HB1' ' A' ' 77' ' ' ALA . 17.8 tptm -101.06 94.73 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.95 30.22 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.56 -27.18 12.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.16 153.53 31.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -86.71 131.14 34.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.3 138.1 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' N ' HD11 ' A' ' 48' ' ' ILE . 4.9 mp -124.2 90.15 51.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' HG3' ' CD1' ' A' ' 57' ' ' ILE . 54.1 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.75 -167.97 33.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -94.66 -38.68 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -49.12 161.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -89.87 -37.31 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -133.53 108.71 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 49' ' ' PRO . 21.3 mt -88.87 109.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -104.0 150.53 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.75 118.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.45 101.23 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.99 -111.19 3.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -113.46 12.98 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -127.82 143.99 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -108.45 159.6 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -141.27 113.58 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.5 tp -96.61 98.77 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -88.98 140.25 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.5 mt -123.68 102.81 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.55 109.46 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 76.71 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . . . -79.95 91.02 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.13 163.65 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -39.91 -38.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.01 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -41.12 -32.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 94' ' ' VAL . . . -61.63 93.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB1' ' CE ' ' A' ' 42' ' ' LYS . . . -149.75 170.25 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.53 100.54 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -87.03 113.5 22.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.5 m -123.56 135.03 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.549 HG11 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -99.55 168.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ttm -146.99 120.38 9.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 36.8 p -108.63 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.7 p -56.76 -34.35 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.43 40.68 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.8 164.92 35.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -154.75 155.52 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -148.21 158.23 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -138.91 149.76 45.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -150.98 146.44 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -105.58 125.1 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 25' ' ' VAL . 13.3 tp -114.32 130.51 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -121.44 128.77 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG21 ' CB ' ' A' ' 76' ' ' ALA . 47.1 t -108.69 132.63 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -128.56 158.2 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.9 mt -90.94 106.97 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.14 165.52 15.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -75.72 67.46 2.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.28 83.61 0.49 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -2.2 9.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.5 m -42.48 159.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.0 p -40.48 -46.19 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' GLY . 98.2 mt -109.12 141.83 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -119.88 132.2 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.07 99.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 p -63.94 -45.85 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -109.65 113.73 26.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.07 145.53 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 30.9 mt -54.28 152.08 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -122.91 139.55 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.19 130.18 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 92' ' ' LEU . 96.6 m -123.76 131.87 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 m -117.55 105.01 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.79 168.86 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -94.44 176.21 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.83 128.92 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.57 -14.14 31.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.52 168.33 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HG3' HD11 ' A' ' 67' ' ' ILE . 32.8 ttt180 -99.97 119.76 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 92' ' ' LEU . 90.4 t -95.44 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.58 117.2 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 66' ' ' LEU . 22.8 mt -107.36 109.69 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.96 150.95 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.97 165.48 27.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -130.79 150.74 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -125.02 -177.23 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -84.86 -35.93 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 33.0 mt-10 -95.72 164.5 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -99.35 163.09 12.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . 25.0 t70 34.49 39.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.62 177.3 7.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -129.77 87.11 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 83' ' ' THR . 5.3 m -77.55 160.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 44.2 mttt -114.68 112.42 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.793 ' CE3' HD22 ' A' ' 66' ' ' LEU . 69.7 m95 -87.68 127.64 35.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.8 m-85 -123.52 135.16 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.58 102.38 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.444 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.78 30.98 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.11 29.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -77.15 147.99 36.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 23.6 tt0 -87.4 128.41 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.5 mt -83.99 142.22 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -133.08 89.61 33.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.77 -165.21 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.27 139.18 32.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.9 mtp180 -130.78 106.65 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.581 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -84.11 121.61 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -116.04 139.31 50.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.16 122.32 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -128.43 100.98 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -106.03 1.03 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -117.96 24.3 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -137.53 139.79 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.557 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.6 m-70 -108.01 156.57 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.557 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -140.11 108.0 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.9 tp -94.63 101.15 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.863 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.27 147.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.863 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.0 mt -126.08 113.73 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.85 108.76 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.85 86.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.37 96.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -93.36 174.82 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.596 ' H ' HG22 ' A' ' 72' ' ' THR . 13.6 mmtp -54.62 -14.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.93 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.9 -31.11 64.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 1.067 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.94 94.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -148.75 171.6 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.29 100.36 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.64 115.85 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -121.39 135.46 55.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.1 155.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 ttm -138.28 123.3 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 38' ' ' VAL . 57.8 p -112.57 -174.95 2.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -63.15 -21.79 66.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -158.44 42.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.71 161.86 35.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -154.71 147.71 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.426 ' HB3' HG22 ' A' ' 81' ' ' VAL . 21.8 t -143.42 162.29 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.01 148.79 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -146.14 167.42 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -119.63 119.98 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 25' ' ' VAL . 36.6 tp -109.4 109.37 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -102.55 125.88 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.067 HG23 ' HB2' ' A' ' 76' ' ' ALA . 83.1 t -100.4 130.64 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 90.9 mt -111.92 125.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.1 mmt -104.23 136.2 44.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.64 100.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -65.91 -41.19 91.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 72.2 tttt -116.22 96.66 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -63.15 160.8 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.686 HD11 HG13 ' A' ' 81' ' ' VAL . 57.5 mt -70.59 151.9 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -120.72 141.5 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.01 142.07 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 92' ' ' LEU . 88.8 m -139.52 141.03 37.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -122.85 107.31 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -115.51 164.07 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -66.5 105.62 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.71 -10.26 32.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.79 166.84 21.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' NE ' HG13 ' A' ' 67' ' ' ILE . 15.5 ttt180 -96.56 118.28 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 71' ' ' ALA . 58.0 t -94.75 138.0 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.15 116.19 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.25 109.55 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -98.05 150.04 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 p -162.32 165.05 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 21.8 mt-10 -132.66 155.82 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.8 m -128.18 -177.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -79.5 -42.03 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.39 -176.16 5.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 25.1 p30 -115.46 153.2 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 34.78 41.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.87 174.32 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -114.3 93.22 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -87.52 154.04 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -112.0 114.47 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.621 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.6 m95 -88.1 138.81 31.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 44.7 m-85 -133.34 137.13 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 16.9 tttt -102.56 98.2 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 68.79 31.35 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.89 -27.09 22.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.51 148.55 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 28.1 tt0 -84.8 136.08 33.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.2 mt -95.44 145.72 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.51 93.54 21.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.694 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.1 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 8.7 mpt_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.346 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -86.23 136.06 33.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 67' ' ' ILE . 12.4 mtm180 -130.38 109.59 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.694 HD12 ' HG3' ' A' ' 49' ' ' PRO . 62.6 mt -87.97 139.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.73 138.52 45.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.01 122.01 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -132.71 103.51 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.77 -113.66 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -115.17 23.56 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -138.51 136.99 36.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.442 ' C ' HD12 ' A' ' 65' ' ' ILE . 22.4 m-70 -101.25 159.66 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.46 107.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' CE3' ' A' ' 40' ' ' TRP . 41.3 tp -94.27 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.475 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.89 133.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -113.06 110.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.77 113.4 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.2 81.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.88 92.34 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 p -74.71 172.12 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -57.83 -37.29 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.23 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 77' ' ' ALA . 11.4 m-20 -51.11 -38.94 54.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -45.26 92.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -147.52 171.71 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -78.73 100.66 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 60.0 m-85 -86.69 112.79 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.2 m -121.1 141.3 50.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 14' ' ' LEU . 1.6 m -102.81 162.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -141.96 127.15 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.532 HG22 HG12 ' A' ' 38' ' ' VAL . 72.3 p -118.78 -175.59 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.9 p -61.31 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.98 38.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.98 159.6 31.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -154.9 145.43 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -144.78 151.04 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -138.83 145.27 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -138.32 171.23 14.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -120.08 127.84 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 tp -118.43 123.59 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -115.52 111.8 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG23 ' HB2' ' A' ' 76' ' ' ALA . 80.1 t -93.79 117.62 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 91.7 mt -116.9 127.67 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mmt -104.76 139.81 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.48 100.95 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -65.62 -48.63 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -107.33 94.51 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -64.8 155.77 32.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 22.9 mt -63.51 146.8 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.4 139.05 51.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.8 135.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -129.49 141.24 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 m -122.57 106.83 11.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.03 178.13 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -105.66 161.2 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.45 107.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.56 -22.2 31.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.13 167.9 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 26' ' ' GLU . 23.6 ttt180 -98.29 120.69 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 92' ' ' LEU . 41.2 t -96.06 135.86 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 26.8 mt-10 -131.69 108.5 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 66' ' ' LEU . 33.6 mt -99.11 112.74 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 5.6 tt0 -100.77 146.68 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 p -158.08 156.43 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -121.56 154.25 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.5 m -126.38 -179.76 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.7 t -87.44 -2.07 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.5 mm-40 -128.36 170.39 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' ASP . 7.2 p-10 -108.63 161.66 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 73.7 m-20 35.52 40.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.87 175.91 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -126.54 88.69 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.5 m -80.85 160.06 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.9 mmtt -117.04 115.02 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 66' ' ' LEU . 60.3 m95 -90.65 132.07 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 57.0 m-85 -125.95 135.63 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.1 tttp -101.31 99.57 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 63.78 30.58 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -20.18 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.31 144.84 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.65 127.36 33.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.84 132.06 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.6 mm -118.38 90.97 40.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.53 5.52 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -83.67 139.83 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 9.5 mtp85 -135.86 105.25 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' A' ' 40' ' ' TRP . 51.7 mt -86.6 109.9 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -107.32 139.07 42.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.3 p -114.99 121.74 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -124.36 110.95 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.93 -106.18 1.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -119.97 20.17 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 8.0 ptpp? -133.73 142.91 48.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CE1' HG13 ' A' ' 38' ' ' VAL . 24.1 m-70 -108.17 151.12 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.06 122.17 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' CE3' ' A' ' 40' ' ' TRP . 30.9 tp -105.7 101.06 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.947 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -89.84 146.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.947 ' N ' HD13 ' A' ' 67' ' ' ILE . 20.8 mt -132.25 104.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.21 105.91 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.59 87.04 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.15 92.26 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' HG21 ' A' ' 94' ' ' VAL . 18.2 p -84.23 177.98 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -55.03 -34.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.18 68.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -59.22 -28.64 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.83 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.81 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.76 103.85 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 85.2 m-85 -89.91 111.47 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -115.88 137.85 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 14' ' ' LEU . 3.0 m -102.39 160.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.4 ttp -142.49 113.1 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.554 HG22 HG12 ' A' ' 38' ' ' VAL . 82.0 p -101.82 -176.18 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.2 p -60.63 -24.38 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -156.54 44.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.72 163.42 36.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -154.7 146.73 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -140.68 162.81 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -147.84 142.13 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.637 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.29 160.58 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -114.5 118.92 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 25' ' ' VAL . 46.3 tp -108.93 119.84 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -111.28 138.39 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 76' ' ' ALA . 90.8 t -114.64 131.06 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 86.3 mt -115.04 119.92 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.12 141.92 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.04 99.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 p -64.37 -49.29 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -101.31 102.86 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -75.46 156.55 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.66 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 20.1 mt -67.69 152.52 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -122.85 141.34 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.31 127.29 14.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD12 ' A' ' 92' ' ' LEU . 54.1 m -121.57 138.87 54.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 m -117.64 105.48 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.05 168.92 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -94.39 174.37 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.71 119.84 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.22 -21.08 48.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.47 167.3 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -101.05 122.72 44.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG21 HD21 ' A' ' 92' ' ' LEU . 40.7 t -96.31 137.95 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.03 109.65 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.5 HD12 HD23 ' A' ' 66' ' ' LEU . 43.9 mt -101.25 111.76 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -100.82 150.23 23.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -160.79 170.71 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -134.78 164.97 26.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -132.48 -178.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -77.99 -33.35 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 mm-40 -103.1 -175.24 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -117.75 164.0 15.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 t0 38.37 49.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.26 178.66 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -129.49 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -80.83 155.77 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 55.1 mttp -111.53 111.12 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 66' ' ' LEU . 48.8 m95 -88.1 130.35 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 38.4 m-85 -125.85 138.18 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -104.98 100.77 10.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.786 HD21 ' HB1' ' A' ' 77' ' ' ALA . 19.8 m120 67.13 30.92 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 -24.69 31.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.63 151.12 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.52 129.21 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -82.79 135.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.76 90.1 45.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -176.53 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -104.84 146.69 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 28.0 mtp180 -136.59 108.27 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.26 120.82 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -123.77 141.51 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.11 127.16 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -130.34 113.44 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.56 -107.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -120.14 19.13 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -135.69 136.67 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 21.9 m-70 -102.71 163.52 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.3 mp -146.18 116.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 40' ' ' TRP . 37.5 tp -102.66 105.7 16.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -95.61 141.13 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 67' ' ' ILE . 11.0 mt -125.24 104.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.79 103.34 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.57 83.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -89.84 90.61 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.83 160.72 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.72 -47.59 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.1 86.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -40.17 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -51.89 95.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.2 170.46 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.39 100.07 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -86.79 111.43 20.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m -114.54 136.62 52.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -99.51 166.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -151.07 113.91 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.606 HG22 HG12 ' A' ' 38' ' ' VAL . 63.5 p -104.58 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.1 p -50.09 -36.24 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.06 41.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.14 160.28 30.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.07 140.65 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -141.31 162.16 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -147.27 144.16 28.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -139.43 155.47 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -106.57 121.45 44.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 17' ' ' THR . 21.7 tp -114.29 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -111.6 124.68 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.4 t -102.82 123.77 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 77.2 mt -115.68 123.96 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 mmt -106.32 138.76 41.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.94 101.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -65.8 -43.27 89.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -112.33 101.11 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -69.63 147.89 50.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 20.8 mt -58.65 156.55 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.88 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.25 129.29 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 m -119.87 147.49 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.57 HG23 ' OG ' ' A' ' 93' ' ' SER . 78.5 m -124.08 105.31 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -110.92 -178.39 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -116.58 158.56 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 11.4 t -57.16 108.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.35 -20.12 38.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.65 163.5 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.1 ttm180 -97.68 126.4 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 HD21 ' A' ' 92' ' ' LEU . 39.9 t -98.97 132.21 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -122.98 106.78 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 66' ' ' LEU . 41.5 mt -98.27 111.23 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.98 151.24 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.9 p -163.2 165.19 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -129.86 158.09 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.8 m -129.54 178.71 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -77.16 -40.2 46.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.3 mm-40 -93.76 172.9 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -106.77 162.13 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 35.14 41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.26 -179.31 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.91 91.53 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 83' ' ' THR . 5.0 m -81.91 153.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -110.77 114.27 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.8 m95 -89.02 139.57 30.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 41.6 m-85 -133.62 137.47 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -103.62 103.76 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.464 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 28.7 m-20 63.47 26.0 14.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.0 -29.81 9.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.57 152.02 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.18 141.35 30.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.01 138.26 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -124.69 89.94 51.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.81 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -173.44 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.331 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -82.3 141.7 32.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 25.3 mtp85 -137.28 109.63 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.81 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.5 mt -89.8 109.2 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -103.24 150.95 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.8 118.51 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -126.69 98.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.57 -116.26 8.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -109.7 19.36 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.64 137.01 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' C ' HD12 ' A' ' 65' ' ' ILE . 20.5 m-70 -102.22 160.34 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.76 111.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 40' ' ' TRP . 50.8 tp -95.62 104.27 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.13 135.42 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 25' ' ' VAL . 14.4 mt -118.04 115.38 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.56 107.43 15.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.6 73.88 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -80.46 91.83 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -90.23 170.52 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.54 ' H ' HG22 ' A' ' 72' ' ' THR . 1.7 mptp? -46.38 -34.68 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.34 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.64 -27.85 59.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.98 89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -149.05 170.47 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -80.1 102.93 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -86.61 112.41 21.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.5 m -122.34 138.7 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.658 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -101.17 170.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.6 tmm? -150.6 123.07 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.645 HG22 HG12 ' A' ' 38' ' ' VAL . 69.0 p -115.93 -177.43 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -28.79 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -154.15 46.78 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.89 158.59 30.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -154.44 137.0 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -131.09 158.31 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p -142.66 146.9 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -108.87 138.08 45.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 25' ' ' VAL . 32.4 tp -119.55 135.05 54.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.57 ' OG ' HG23 ' A' ' 18' ' ' THR . 4.0 p -121.58 140.38 52.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 21' ' ' CYS . 39.2 t -126.28 117.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.446 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 92.7 mt -120.16 130.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.18 144.74 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -87.06 103.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -66.89 -44.44 80.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -112.35 112.65 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.98 151.49 24.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.702 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 7.7 mt -62.43 147.96 47.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -116.86 136.92 52.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 129.39 6.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 149.08 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -130.54 108.5 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.04 -179.02 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -106.05 167.13 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.9 p -69.83 108.23 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.07 -6.18 39.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.88 169.96 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -102.73 122.17 43.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 92' ' ' LEU . 45.8 t -93.93 139.24 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -132.04 116.11 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 mt -106.62 114.66 28.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -100.69 151.61 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.63 163.94 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -131.51 154.17 49.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -123.24 -175.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 p -85.89 -16.4 38.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.0 mm-40 -113.78 -177.74 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.04 156.6 27.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 37.57 37.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.76 -176.13 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.62 92.23 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -83.93 157.79 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' MET . 26.9 mttm -117.27 116.45 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CE3' HD22 ' A' ' 66' ' ' LEU . 43.0 m95 -91.75 139.59 30.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 31.8 m-85 -134.74 131.83 38.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -101.36 107.99 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.665 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 35.6 m120 63.83 27.28 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.95 -24.64 30.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -81.5 142.48 32.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.74 139.84 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.3 mt -93.19 145.91 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -133.25 89.59 32.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.77 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.8 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -80.99 136.48 36.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 30.3 mtp180 -133.35 108.52 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.77 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -89.38 120.13 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -116.36 140.08 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.55 119.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -125.77 100.32 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.37 -116.36 7.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -109.68 16.3 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -134.72 132.81 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' HG13 ' A' ' 38' ' ' VAL . 15.2 m-70 -97.48 165.95 11.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -147.01 116.62 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.0 tp -101.45 111.13 23.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.93 138.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 67' ' ' ILE . 19.3 mt -121.59 104.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.53 107.77 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.56 91.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.631 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.94 99.38 12.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 p -94.84 178.53 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -49.89 -45.42 50.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.28 91.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.17 -31.01 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -67.91 91.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.665 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -145.17 171.51 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -78.47 102.03 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.46 113.9 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -121.42 136.71 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.8 169.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LYS . 7.2 tmm? -150.77 110.67 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.573 HG22 HG12 ' A' ' 38' ' ' VAL . 48.8 p -97.02 -176.35 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.4 p -65.73 -7.2 14.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -169.55 33.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.61 164.41 33.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -154.72 139.3 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -137.1 159.79 40.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 p -141.18 149.94 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -153.36 140.56 19.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -99.07 124.39 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD21 HG21 ' A' ' 25' ' ' VAL . 22.1 tp -111.71 114.66 27.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -102.52 130.29 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 76' ' ' ALA . 29.5 t -109.59 131.77 59.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 79.4 mt -95.01 121.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mmt -99.64 139.64 35.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.42 99.02 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -64.42 -47.79 77.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -105.77 98.09 7.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -66.28 155.82 36.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD11 HG13 ' A' ' 81' ' ' VAL . 42.5 mt -64.87 149.49 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -121.16 139.72 52.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 1.3 t0 -46.37 129.88 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 92' ' ' LEU . 24.2 m -124.35 128.25 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.4 m -111.34 104.73 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.66 -179.66 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -107.78 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -73.81 116.04 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.15 -28.28 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.62 167.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.811 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.6 ttm180 -99.91 127.83 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 71' ' ' ALA . 40.4 t -100.46 141.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -133.78 105.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.748 HD12 HD23 ' A' ' 66' ' ' LEU . 47.3 mt -94.63 110.5 22.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 8.8 tt0 -100.6 147.59 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.8 p -159.83 165.53 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.17 156.48 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.7 m -126.11 -178.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -81.37 -33.06 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.2 mm-40 -99.85 179.02 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.7 p30 -112.4 164.2 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.4 m-20 34.98 46.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.36 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -129.17 88.62 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -77.31 161.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.4 mtmt -118.68 111.73 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 66' ' ' LEU . 52.6 m95 -86.64 133.86 33.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 34.7 m-85 -128.0 135.21 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 17.3 tttt -103.32 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.603 HD21 ' HB1' ' A' ' 77' ' ' ALA . 7.0 m120 68.6 29.08 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.55 -24.67 30.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -81.58 142.84 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -83.13 127.3 33.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.37 137.47 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -121.58 90.34 47.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -94.33 138.42 32.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -138.98 105.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 49' ' ' PRO . 43.2 mt -81.04 117.14 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -122.53 136.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -113.39 133.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -131.73 108.57 9.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.17 -104.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -120.56 20.16 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -137.67 136.17 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CE1' HG13 ' A' ' 38' ' ' VAL . 20.2 m-70 -101.22 159.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -142.31 110.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.748 HD23 HD12 ' A' ' 27' ' ' LEU . 40.9 tp -95.37 103.91 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -92.05 146.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.094 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.0 mt -131.38 102.89 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.57 108.32 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.59 82.64 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.7 93.28 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -94.73 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' THR . 3.2 mptp? -34.19 -51.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.64 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.554 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -44.41 -41.08 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.835 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -48.07 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.51 165.22 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.91 100.75 8.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 72.5 m-85 -86.55 111.78 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -118.48 136.18 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.5 163.7 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -144.05 120.14 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.597 HG22 HG12 ' A' ' 38' ' ' VAL . 76.1 p -113.34 176.14 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.8 p -47.54 -35.67 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.92 45.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.18 158.3 30.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -154.75 141.01 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -145.11 161.7 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.4 t -147.45 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -142.51 178.15 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -125.41 122.03 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 25' ' ' VAL . 12.0 tp -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -94.63 130.18 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' A' ' 76' ' ' ALA . 11.7 t -112.15 130.7 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.777 HD13 ' HB1' ' A' ' 36' ' ' ALA . 92.5 mt -113.03 133.03 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.5 mmt -110.49 133.81 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.67 98.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -61.66 -38.92 89.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 13.5 ttmm -118.1 110.71 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -78.56 152.79 31.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.745 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 26.1 mt -57.01 154.86 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 58.3 mt-10 -123.89 124.87 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -34.43 137.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -131.14 147.96 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 m -128.94 104.89 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.92 173.02 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -108.58 159.54 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 t -54.4 108.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.91 8.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.1 169.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NE ' HG13 ' A' ' 67' ' ' ILE . 39.1 ttt180 -102.96 123.41 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.747 HG23 ' HB2' ' A' ' 71' ' ' ALA . 47.2 t -94.66 137.68 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -133.84 103.9 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.51 109.22 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -95.89 158.99 15.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.9 p -167.01 168.25 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 23.5 mt-10 -133.17 154.6 50.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.5 m -126.45 -176.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.7 p -76.5 -36.11 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.1 pt-20 -116.26 177.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.29 162.69 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.5 m-20 35.43 37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.777 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -68.38 105.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -52.83 87.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 36' ' ' ALA . 5.9 m -88.11 163.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.1 mmtt -120.57 115.11 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CG ' HD12 ' A' ' 66' ' ' LEU . 65.8 m95 -92.0 128.04 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 71.9 m-85 -121.09 141.1 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.4 tttt -105.28 93.44 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 69.39 30.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 -29.54 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.28 150.78 33.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.55 134.47 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.25 141.98 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 mm -130.34 89.86 43.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.849 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 47.1 m-85 -79.72 144.19 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 67' ' ' ILE . 31.2 mtp180 -141.37 113.66 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.9 mt -92.93 132.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 49.3 ttm-85 -117.71 154.56 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 35' ' ' ASP . 84.6 t -125.28 125.43 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.4 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -114.04 21.07 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' HD11 ' A' ' 65' ' ' ILE . 2.4 ptpt -135.62 145.67 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' C ' HD12 ' A' ' 65' ' ' ILE . 19.5 m-70 -115.28 160.34 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -147.95 113.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.633 HD12 ' CG ' ' A' ' 40' ' ' TRP . 8.8 tt -96.18 112.97 24.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.869 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -98.2 143.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.869 ' N ' HD13 ' A' ' 67' ' ' ILE . 23.9 mt -127.64 104.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -71.77 108.31 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.2 80.54 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.747 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -85.55 88.8 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.409 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -84.26 161.61 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' THR . 34.4 mmtt -37.21 -58.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.82 -47.7 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 72' ' ' THR . 1.1 m-20 -41.48 -36.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.41 93.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.05 171.19 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.4 101.75 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 57.0 m-85 -87.51 114.36 24.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.9 m -126.23 142.89 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -105.26 166.56 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttm -147.11 135.77 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.541 HG22 HG12 ' A' ' 38' ' ' VAL . 46.5 p -126.35 177.89 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -53.69 -18.0 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -165.31 46.64 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.06 161.0 34.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -154.55 141.12 18.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.49 ' HB3' HG22 ' A' ' 81' ' ' VAL . 25.5 t -135.03 153.82 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 p -135.65 150.41 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.745 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -153.61 146.13 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -99.54 138.55 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 25' ' ' VAL . 23.7 tp -125.0 109.14 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -99.4 116.65 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.03 113.34 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 36' ' ' ALA . 80.2 mt -118.35 129.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -109.14 141.65 41.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 HE21 ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.29 98.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 p -63.26 -49.29 74.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.9 tttp -98.63 102.83 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.476 HE21 HG13 ' A' ' 10' ' ' VAL . 36.2 mm-40 -73.18 162.66 29.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD11 HG13 ' A' ' 81' ' ' VAL . 55.5 mt -68.79 155.8 39.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -124.15 139.24 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 134.56 18.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' LEU . 92.6 m -130.47 141.95 50.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -123.1 104.13 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -107.7 177.26 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 38.4 m-85 -109.42 173.22 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.4 111.88 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.93 -18.25 52.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 57.8 mt-10 -69.48 164.9 22.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 122.51 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.9 t -94.51 140.22 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -132.83 111.41 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 mt -103.17 116.38 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.73 150.33 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.5 p -161.07 175.77 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 40.4 mt-10 -137.94 162.83 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 36' ' ' ALA . 1.1 m -131.43 -175.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -86.42 -34.29 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 9.0 mm-40 -123.64 132.93 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -57.4 174.67 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.6 p30 38.46 43.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.525 ' CB ' HD13 ' A' ' 8' ' ' ILE . . . -92.15 99.15 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -57.62 90.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.708 HG12 HG22 ' A' ' 83' ' ' THR . 5.5 m -80.33 157.45 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 25.0 mttm -114.1 114.04 25.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.754 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.1 m95 -91.13 129.67 37.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 74.3 m-85 -124.71 136.33 53.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -105.41 99.23 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.89 28.02 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.68 -22.65 38.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -83.01 147.16 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -82.88 132.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -88.5 136.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -122.19 89.7 48.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.21 144.97 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp180 -132.62 107.44 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 49' ' ' PRO . 20.7 mt -90.39 117.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.483 ' CD ' ' OE1' ' A' ' 60' ' ' GLU . 19.6 ttm105 -115.44 157.3 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.738 HG22 ' CE1' ' A' ' 64' ' ' HIS . 85.3 t -127.8 125.47 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' OE1' ' CD ' ' A' ' 58' ' ' ARG . 1.6 mp0 -124.48 103.53 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.1 -104.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -116.31 14.24 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -131.22 134.3 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.738 ' CE1' HG22 ' A' ' 59' ' ' VAL . 23.5 m-70 -100.4 162.56 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.74 116.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' CE3' ' A' ' 40' ' ' TRP . 42.6 tp -102.1 108.27 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.586 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.98 133.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 67' ' ' ILE . 16.2 mt -115.69 108.31 24.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.44 110.94 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.33 83.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.38 105.81 18.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -103.14 155.03 18.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' THR . 2.6 mmmp? -34.32 -44.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.35 73.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.656 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -46.67 -36.02 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 91.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.59 167.54 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.94 102.88 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -86.55 113.29 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -121.65 135.93 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.683 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.26 165.18 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -145.84 115.23 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 HG12 ' A' ' 38' ' ' VAL . 82.4 p -101.86 -174.96 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 45.3 p -57.37 -31.3 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.19 34.93 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.19 166.59 32.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 88' ' ' SER . 32.8 tt0 -154.76 155.89 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 81' ' ' VAL . 14.6 t -148.21 159.75 43.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 p -149.2 142.2 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -142.55 -175.04 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -132.12 127.43 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 25' ' ' VAL . 19.0 tp -111.88 104.48 12.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -93.86 126.37 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.656 HG21 ' OD2' ' A' ' 75' ' ' ASP . 54.8 t -108.33 130.28 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 36' ' ' ALA . 96.8 mt -113.55 128.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -108.17 134.05 51.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.32 100.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -117.06 99.93 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -68.46 160.78 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.621 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 46.8 mt -63.79 152.87 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -122.28 136.01 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.91 132.74 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.2 m -128.42 144.96 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.8 m -129.21 106.61 8.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.58 -178.54 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -112.71 171.95 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 t -67.47 113.7 5.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.64 -30.54 9.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.0 160.05 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.33 124.66 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.74 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.5 t -95.93 136.89 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -130.96 117.04 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 66' ' ' LEU . 34.5 mt -106.32 111.68 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -99.2 147.91 24.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.9 p -159.25 163.05 36.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -126.67 157.76 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 36' ' ' ALA . 2.6 m -129.7 -177.87 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -86.63 -28.79 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.64 140.33 51.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -63.16 166.1 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HA ' HG11 ' A' ' 59' ' ' VAL . 13.5 t0 35.78 51.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.668 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -85.33 99.17 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -55.47 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.908 HG12 HG22 ' A' ' 83' ' ' THR . 12.6 m -84.62 160.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 43.4 mttt -118.18 110.79 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.504 ' CE3' HD22 ' A' ' 66' ' ' LEU . 67.1 m95 -85.98 120.36 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 49.3 m-85 -113.55 139.51 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -106.37 103.69 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.754 HD21 ' HB1' ' A' ' 77' ' ' ALA . 32.3 m120 65.51 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.67 -28.65 11.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.07 151.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.62 132.62 34.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -90.05 133.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.7 mm -122.7 90.07 49.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.796 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -165.64 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -79.83 136.24 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 8.5 mtt-85 -128.73 112.95 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.796 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.8 mt -97.96 110.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -109.51 147.85 32.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.939 HG22 ' CE1' ' A' ' 64' ' ' HIS . 72.7 t -116.9 105.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.5 -105.69 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -115.82 10.48 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -126.52 134.09 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.939 ' CE1' HG22 ' A' ' 59' ' ' VAL . 22.8 m-70 -95.96 159.95 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.15 118.33 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 27' ' ' LEU . 14.0 tp -104.06 110.75 23.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -101.75 137.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.734 HG21 ' OD2' ' A' ' 75' ' ' ASP . 19.1 mt -119.99 104.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.55 106.6 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.99 78.52 1.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.51 93.29 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -87.08 168.48 13.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 mmmm -45.44 -32.52 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.72 -48.42 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.734 ' OD2' HG21 ' A' ' 68' ' ' ILE . 7.2 t0 -39.59 -38.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.932 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.754 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -149.69 169.93 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.6 103.1 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -91.29 113.05 25.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -120.3 134.86 55.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.493 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.8 m -99.53 164.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 ttm -143.33 123.7 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.908 HG22 HG12 ' A' ' 38' ' ' VAL . 63.3 p -112.99 -175.86 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 p -62.95 -27.27 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -153.29 42.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.79 163.71 36.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 88' ' ' SER . 27.7 tt0 -154.57 155.07 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 8.5 t -147.08 159.24 43.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 p -147.3 145.9 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.621 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.64 175.73 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -128.03 117.44 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 25' ' ' VAL . 34.8 tp -107.31 124.72 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -117.69 126.85 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.932 HG23 ' HB2' ' A' ' 76' ' ' ALA . 95.7 t -106.82 121.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.9 mt -100.05 135.31 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.5 mmt -113.39 138.46 50.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.92 100.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -67.09 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -119.46 97.72 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -62.76 155.2 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 16.8 mt -62.88 155.99 25.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -125.18 126.32 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.82 135.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 92' ' ' LEU . 72.6 m -127.65 140.35 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -127.02 113.49 16.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.44 152.37 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.65 172.07 13.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' ASP . 49.0 t -68.85 119.75 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.76 -16.92 57.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -73.0 164.47 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 67' ' ' ILE . 5.9 ttm180 -99.99 122.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG23 ' HB2' ' A' ' 71' ' ' ALA . 59.8 t -93.48 139.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -133.08 121.07 22.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 66' ' ' LEU . 52.4 mt -110.98 112.32 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 7.8 tt0 -100.2 149.98 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.485 ' HG ' ' HH2' ' A' ' 40' ' ' TRP . 1.1 p -164.1 160.96 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -124.04 160.78 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -131.37 178.01 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 t -79.31 -30.01 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 31' ' ' VAL . 49.6 mt-10 -103.76 164.97 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.05 156.76 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 39.75 49.97 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 179.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -129.22 92.4 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG12 HG22 ' A' ' 83' ' ' THR . 5.2 m -82.29 159.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 26.3 mttp -114.73 111.1 20.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.2 m95 -85.88 129.29 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.3 m-85 -124.15 132.26 53.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 25.2 tttm -82.88 97.53 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 10.2 p30 50.55 24.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.02 3.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.8 146.48 48.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.49 120.95 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -84.62 131.67 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.4 mm -120.87 90.09 46.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.4 Cg_endo -69.74 -174.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.866 0.365 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -84.32 143.27 29.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.1 mtp85 -135.2 110.12 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.528 HG12 HD13 ' A' ' 66' ' ' LEU . 51.6 mt -94.8 117.08 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -119.41 145.63 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.4 p -117.31 121.93 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -120.91 103.04 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.89 -107.01 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -119.2 18.82 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -135.21 141.81 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' ND1' HG22 ' A' ' 38' ' ' VAL . 18.1 m-70 -104.31 157.09 17.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.95 112.52 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -98.56 104.08 16.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.65 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.4 143.57 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' ILE . 27.7 mt -126.92 101.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -69.77 110.38 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.5 87.51 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.85 91.55 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.5 p -89.25 163.98 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -46.39 -28.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -35.74 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -15.65 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -68.03 93.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -149.76 163.93 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ASN . 32.9 tt0 -76.37 103.96 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -86.43 113.72 22.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.2 m -119.69 135.47 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -99.33 158.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.5 ttm -135.67 127.09 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 HG12 ' A' ' 38' ' ' VAL . 59.6 p -118.28 -179.85 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.7 p -57.76 -31.35 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.32 42.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.9 162.26 36.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' A' ' 88' ' ' SER . 50.7 tt0 -153.96 156.13 36.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.471 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.7 t -147.8 160.17 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.1 p -138.98 147.43 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -149.96 141.25 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -98.76 126.39 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 25' ' ' VAL . 23.6 tp -110.35 117.0 32.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -105.8 130.17 53.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 72' ' ' THR . 78.6 t -105.62 136.87 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' CYS . 7.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.9 mt -102.35 125.52 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 11.4 mmt -101.86 148.02 25.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.0 t -87.68 98.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -63.49 -41.02 98.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 31.5 tttp -117.68 112.33 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -78.24 157.7 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 47.3 mt -62.38 169.53 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -137.74 136.63 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.86 129.42 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 18' ' ' THR . 8.9 m -124.28 152.74 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 17' ' ' THR . 84.7 m -137.07 106.64 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.71 175.44 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.2 160.74 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.41 108.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.83 -14.33 34.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.13 166.3 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' NE ' HG13 ' A' ' 67' ' ' ILE . 18.1 ttt180 -101.19 118.55 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 71' ' ' ALA . 21.2 t -93.25 140.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.86 109.05 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.742 HD12 HD23 ' A' ' 66' ' ' LEU . 29.3 mt -99.78 112.84 25.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 5.5 tt0 -102.1 150.27 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.3 p -161.42 169.86 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 37.5 mt-10 -134.61 151.41 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.4 m -123.26 -175.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' MET . 38.9 t -79.82 -42.18 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.2 mt-10 -99.52 172.47 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -105.15 168.01 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 35.68 42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.57 165.95 15.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -113.8 96.23 5.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.486 HG12 HG22 ' A' ' 83' ' ' THR . 3.0 m -88.83 156.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 31.5 mtpt -112.32 110.95 21.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CE3' HD22 ' A' ' 66' ' ' LEU . 72.8 m95 -85.92 132.33 34.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 39.7 m-85 -125.97 140.8 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 23.2 tttt -101.18 92.08 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 68.41 34.2 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.1 -28.83 14.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.2 144.91 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 35.7 tt0 -81.71 132.64 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -91.24 135.73 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -121.44 90.74 47.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CE2' ' NE ' ' A' ' 54' ' ' ARG . 83.4 m-85 -94.38 136.52 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 mtp180 -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.98 109.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -110.85 139.84 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.51 130.23 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -132.66 106.43 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.01 -110.24 3.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -114.98 14.91 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -132.3 136.18 46.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 65' ' ' ILE . 15.2 m-70 -103.1 159.8 15.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.63 107.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.901 HD22 ' CE3' ' A' ' 40' ' ' TRP . 40.7 tp -93.87 104.26 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.19 142.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 67' ' ' ILE . 62.1 mt -128.74 102.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.45 128.38 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.87 90.44 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 111.079 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.652 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.8 p -80.97 178.34 8.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -58.25 -32.39 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.85 -29.85 68.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -65.04 89.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -143.98 171.71 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.85 100.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 81.5 m-85 -86.83 116.52 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -124.54 137.23 54.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.9 m -100.06 157.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 ttm -136.58 123.47 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 38' ' ' VAL . 80.3 p -115.57 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -58.07 -34.36 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -148.81 45.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.61 159.72 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -153.16 150.68 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -146.48 158.9 43.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -144.27 151.16 39.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.633 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -140.87 -177.63 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -133.81 112.77 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.1 tp -106.53 124.08 49.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -117.35 127.52 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.7 t -104.03 132.41 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 63.5 mt -116.59 128.62 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mmt -108.06 139.85 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.51 98.08 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -66.01 -48.88 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -104.52 103.94 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -71.84 160.53 32.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.707 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 81.8 mt -72.68 145.77 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -112.58 137.32 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.98 125.55 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -115.77 144.06 44.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -126.87 104.17 7.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.32 175.87 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -106.54 163.86 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.82 103.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.02 -22.47 16.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.92 165.53 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 67' ' ' ILE . 5.1 ttt85 -103.6 118.71 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 71' ' ' ALA . 53.3 t -93.46 140.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -133.43 103.06 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -93.95 110.21 21.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 15.3 tt0 -100.6 152.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 12.9 p -165.05 172.83 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -140.64 153.91 46.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLU . 24.1 m -125.89 179.32 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -79.49 -39.58 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.5 mt-10 -91.21 172.46 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 15.8 p30 -108.14 167.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 12.4 m-20 34.67 36.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -79.15 166.1 22.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -121.3 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 83' ' ' THR . 10.2 m -77.56 159.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 39.5 mtmt -115.09 110.99 20.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.665 ' CG ' HD12 ' A' ' 66' ' ' LEU . 56.9 m95 -86.34 133.48 33.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.5 m-85 -126.35 139.51 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -104.74 91.19 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.78 25.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.38 -35.01 4.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.27 148.21 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.2 141.96 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.9 mt -97.21 128.23 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.63 89.56 28.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.04 4.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.95 151.69 31.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 22.9 mtp180 -140.75 115.64 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.43 112.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -107.49 144.09 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -113.09 122.3 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 24.4 mm-40 -131.41 113.92 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.89 -117.1 6.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -111.01 19.37 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.2 146.92 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.431 ' C ' HD12 ' A' ' 65' ' ' ILE . 23.5 m-70 -113.42 152.53 29.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.26 108.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.665 HD12 ' CG ' ' A' ' 40' ' ' TRP . 9.2 tt -95.41 111.15 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.79 142.49 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.848 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.1 mt -123.38 109.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.72 103.53 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 82.2 1.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.52 90.03 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.417 ' C ' HG11 ' A' ' 94' ' ' VAL . 76.9 p -82.95 170.77 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -48.87 -44.89 40.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.23 86.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -46.65 -31.19 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -59.9 96.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.93 170.5 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.71 100.8 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -87.61 114.41 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.1 m -123.44 139.91 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -100.98 164.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.8 ttm -144.42 124.0 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 38' ' ' VAL . 64.7 p -113.8 -174.92 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.0 p -61.35 -30.48 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.47 45.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.34 163.92 36.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -154.57 152.63 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -143.35 157.72 44.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 p -138.39 152.77 48.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -151.55 156.39 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -112.0 123.79 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 25' ' ' VAL . 21.8 tp -110.82 111.69 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m -101.48 119.94 39.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' A' ' 76' ' ' ALA . 97.3 t -104.47 121.37 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 70.0 mt -97.71 126.31 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -106.83 134.44 49.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -77.72 101.65 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 p -67.83 -46.06 72.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.04 95.56 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -62.79 155.97 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 11.3 mt -62.17 147.88 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.11 132.86 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.74 126.91 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -116.99 141.09 48.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.2 m -120.56 103.33 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.66 175.28 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 3.8 m-85 -105.7 178.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 95' ' ' ASP . 7.9 p -70.1 127.3 32.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.84 13.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 20' ' ' TYR . 19.1 mm-40 -61.38 172.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.54 124.66 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 92' ' ' LEU . 40.1 t -105.04 134.18 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.48 106.33 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 66' ' ' LEU . 60.4 mt -97.6 110.68 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -100.92 149.1 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 p -161.27 167.6 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -130.82 158.73 39.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.6 m -130.14 -177.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 t -80.87 -40.38 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.3 mm-40 -91.98 172.72 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 13.1 p-10 -107.62 157.77 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.2 t70 38.21 45.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.69 -179.79 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -128.84 89.62 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -81.01 153.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 62.4 mttt -109.01 112.94 25.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CE3' HD22 ' A' ' 66' ' ' LEU . 65.4 m95 -87.43 130.11 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 52.0 m-85 -126.31 130.12 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -81.95 99.0 8.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.616 ' C ' HD21 ' A' ' 43' ' ' ASN . 0.1 OUTLIER 50.96 26.08 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.58 -30.59 6.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.6 130.95 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.85 117.55 13.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -84.3 136.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 5.4 mp -122.19 94.59 47.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.956 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.4 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.69 135.14 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 2.2 mpt_? -123.86 122.84 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.956 HD12 ' HG3' ' A' ' 49' ' ' PRO . 26.4 mt -107.12 107.63 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -111.08 139.78 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.2 p -114.19 122.1 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -119.42 106.2 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.22 -106.49 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -117.31 18.43 14.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -136.03 139.5 43.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.456 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.1 m-70 -104.61 162.54 13.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.51 113.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.664 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.3 tp -98.5 107.1 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 1.049 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -97.04 148.66 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.049 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.9 mt -133.08 105.65 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 56' ' ' ARG . 30.8 mt-10 -77.08 102.34 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.93 71.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.82 95.16 5.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -86.76 169.95 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 72' ' ' THR . 20.5 mmtt -52.04 -50.93 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.01 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.7 m-20 -48.76 -34.45 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.729 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -50.27 89.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -144.57 168.46 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ASN . 34.2 tt0 -77.61 103.97 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 64.8 m-85 -86.39 115.12 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.5 m -121.32 139.27 53.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -101.09 163.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 ttm -141.1 130.67 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.535 HG22 HG12 ' A' ' 38' ' ' VAL . 72.1 p -123.52 -178.99 4.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.4 p -57.29 -31.42 65.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.13 46.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.16 161.14 33.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 88' ' ' SER . 37.6 tt0 -153.31 156.29 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.8 t -148.18 159.11 44.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -141.57 146.79 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -148.51 143.94 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.5 mtpm? -101.18 125.57 47.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 25' ' ' VAL . 33.7 tp -111.07 106.78 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -94.4 109.1 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' A' ' 76' ' ' ALA . 39.9 t -89.61 124.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' CYS . 9.9 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.5 mt -105.81 126.54 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.8 mmt -105.24 138.17 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.34 99.87 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 p -65.26 -45.63 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 42.5 tttp -109.44 94.38 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -67.11 154.35 41.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HG13 ' A' ' 81' ' ' VAL . 21.6 mt -62.62 157.77 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.8 134.66 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 139.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -140.07 138.51 35.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 m -121.31 108.69 14.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.96 175.95 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.41 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 45.3 m-85 -105.27 172.83 6.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -67.61 116.99 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -21.87 41.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 26.8 mt-10 -58.79 168.09 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 26.1 ttt180 -104.35 119.51 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 71' ' ' ALA . 26.3 t -95.04 138.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CD ' ' NH2' ' A' ' 24' ' ' ARG . 10.4 mt-10 -133.28 109.25 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 66' ' ' LEU . 54.1 mt -99.62 112.32 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 63' ' ' LYS . 5.4 tt0 -100.38 152.18 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -163.21 170.72 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 18.4 mt-10 -137.56 158.0 45.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 13.2 m -128.12 -176.09 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -85.05 -32.41 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.5 mm-40 -96.67 -179.85 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.19 153.49 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 38.91 44.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.42 -178.12 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.6 t30 -126.54 87.8 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -79.29 153.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -110.51 110.94 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.741 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.4 m95 -87.35 129.46 35.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -122.67 140.79 52.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -108.54 92.48 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.47 26.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -28.41 13.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.41 144.97 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -83.57 122.03 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.17 134.02 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.7 mm -122.48 90.24 49.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.706 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.73 -170.39 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -83.39 147.55 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 69' ' ' GLU . 17.4 mtt180 -137.17 108.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.706 HD12 ' HG3' ' A' ' 49' ' ' PRO . 19.2 mt -89.55 113.07 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -105.04 155.12 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 64' ' ' HIS . 95.3 t -125.9 114.15 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -123.2 102.33 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.45 -113.48 5.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -112.87 19.04 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -132.6 137.96 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.502 ' CE1' HG22 ' A' ' 59' ' ' VAL . 21.1 m-70 -105.75 155.48 19.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.8 110.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.741 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.4 tp -95.37 103.71 15.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.981 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.92 149.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.981 ' N ' HD13 ' A' ' 67' ' ' ILE . 34.0 mt -131.77 101.05 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' A' ' 56' ' ' ARG . 43.2 mt-10 -67.85 103.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.88 90.8 0.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.93 91.87 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -87.03 175.07 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -53.57 -38.84 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.99 -36.37 82.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.3 -28.8 65.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 92.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.92 169.79 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.41 105.42 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -87.1 112.87 22.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 m -123.6 135.15 53.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 14' ' ' LEU . 2.1 m -100.45 165.32 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.4 ttp -147.34 121.01 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 38' ' ' VAL . 81.5 p -113.75 -175.44 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.8 p -57.39 -33.8 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.01 45.81 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.14 159.78 33.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -153.09 150.1 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -143.47 161.87 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 p -146.39 146.42 30.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.57 144.19 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -97.8 128.96 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 25' ' ' VAL . 29.9 tp -114.38 108.57 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 112.88 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.55 120.62 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.428 HD13 ' HB1' ' A' ' 36' ' ' ALA . 93.9 mt -104.77 119.95 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.458 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 7.2 mmt -100.57 139.1 36.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.21 100.61 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -65.65 -39.59 91.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 48.5 tttp -118.26 100.61 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -62.76 154.16 30.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.963 HD11 HG13 ' A' ' 81' ' ' VAL . 31.8 mt -61.54 157.89 16.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -123.96 133.25 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.88 136.48 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.527 HG21 HG13 ' A' ' 25' ' ' VAL . 89.2 m -125.94 148.86 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -126.68 107.54 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -116.83 175.25 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 95' ' ' ASP . 31.0 m-85 -112.85 176.4 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -70.93 106.93 3.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.23 -3.13 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.97 164.58 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -104.71 119.87 40.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 68' ' ' ILE . 41.1 t -93.71 141.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -131.7 111.32 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -101.4 112.34 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -100.49 147.49 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.7 p -159.54 162.61 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.8 mt-10 -125.39 154.53 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.7 m -128.21 171.73 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.5 t -71.96 -35.12 69.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 31' ' ' VAL . 12.8 mt-10 -98.15 169.82 9.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -104.64 155.37 18.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 41.5 32.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -70.38 174.29 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -121.13 91.53 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.0 m -85.01 160.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 42.0 mtmt -116.6 115.23 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.9 m95 -89.25 131.55 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 42.8 m-85 -125.42 138.3 54.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.0 ttpt -103.55 91.36 4.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 7.4 t-20 71.62 34.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.46 -30.2 10.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.37 150.58 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -91.22 128.06 36.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.98 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.6 mm -124.69 94.86 43.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.9 Cg_endo -69.74 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.43 137.59 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp85 -135.51 107.77 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.778 HD12 ' HG3' ' A' ' 49' ' ' PRO . 25.7 mt -90.17 112.65 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -108.02 148.76 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.84 115.98 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -122.18 107.77 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.32 -111.18 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -116.45 16.74 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -131.76 135.23 46.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.758 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.4 m-70 -97.24 165.97 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -149.75 111.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 40' ' ' TRP . 45.4 tp -97.0 105.21 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.675 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.73 140.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 67' ' ' ILE . 8.9 mt -122.25 121.31 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -88.89 104.71 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.48 79.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -81.17 104.95 12.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 94' ' ' VAL . 33.1 p -108.73 168.35 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -35.04 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.75 91.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.08 -21.0 64.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.85 90.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 43' ' ' ASN . . . -149.74 172.07 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -76.05 107.46 8.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 54.3 m-85 -86.27 112.32 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 m -120.83 133.77 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -99.73 157.3 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -134.46 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -123.65 175.41 6.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 p -63.12 -7.02 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' HE2' ' A' ' 9' ' ' MET . . . -170.26 42.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.55 158.29 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -152.46 145.26 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -138.46 162.91 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -143.73 150.57 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.04 159.73 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -110.05 139.4 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.477 HD21 HG21 ' A' ' 25' ' ' VAL . 29.4 tp -128.16 118.79 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -105.0 141.18 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 76' ' ' ALA . 36.4 t -118.49 121.45 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 3.7 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' OG1' ' A' ' 84' ' ' THR . 95.2 mt -115.18 130.67 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mmt -109.64 135.06 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 p -77.7 101.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 p -65.1 -51.94 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -95.05 98.37 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.14 157.9 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.017 HD11 HG13 ' A' ' 81' ' ' VAL . 37.3 mt -71.3 136.31 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -103.66 149.17 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 130.89 47.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -119.48 151.47 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.3 m -130.08 103.62 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.31 178.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' C ' ' OE1' ' A' ' 23' ' ' GLU . 56.3 m-85 -110.24 161.12 15.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.47 114.79 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.62 -35.23 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 20' ' ' TYR . 10.4 mp0 -56.43 164.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.96 126.69 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.642 ' HB ' HD12 ' A' ' 68' ' ' ILE . 63.9 t -95.95 133.42 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -130.06 110.75 11.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 mt -101.54 119.88 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 8.3 tt0 -101.4 145.42 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.97 163.01 39.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -128.74 156.04 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 33' ' ' GLU . 15.5 m -127.01 171.63 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -70.08 -33.34 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.5 mm-40 -102.82 174.49 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -107.0 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.6 t70 37.44 46.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 169.25 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -117.53 92.99 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -82.19 160.34 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.0 mppt? -117.66 111.81 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 66' ' ' LEU . 56.7 m95 -86.89 137.36 32.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 43.5 m-85 -129.11 137.81 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HZ1' ' HA ' ' A' ' 75' ' ' ASP . 4.9 tttp -100.35 99.58 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.582 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.8 m-20 63.85 29.53 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.94 8.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -75.02 146.63 41.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -81.89 131.55 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.1 mt -90.39 136.28 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -124.03 90.32 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.2 Cg_endo -69.75 177.56 5.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.297 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.422 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 52.0 m-85 -82.46 147.47 28.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 15.5 mtt85 -142.17 110.55 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.593 HD12 ' HG3' ' A' ' 49' ' ' PRO . 29.9 mt -85.89 108.6 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -99.0 141.97 31.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.5 t -112.43 119.22 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.18 102.32 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.25 25.83 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.78 12.34 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.4 ptpp? -128.53 143.82 51.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.5 m-70 -105.35 163.15 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.485 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.75 112.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' CE3' ' A' ' 40' ' ' TRP . 38.3 tp -95.35 110.91 22.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.26 140.3 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 ' HB ' ' A' ' 25' ' ' VAL . 13.9 mt -124.7 101.94 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HG3' HD11 ' A' ' 67' ' ' ILE . 20.7 mt-10 -69.7 104.87 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.55 81.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.62 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.61 92.09 8.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -86.49 167.75 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 8.2 mmmm -51.5 -28.53 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.44 ' HA ' ' HZ1' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -55.15 -37.79 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -47.82 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.99 169.09 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.22 104.05 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 88.1 m-85 -89.25 111.62 22.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.7 m -119.91 134.83 55.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.017 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.03 162.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 ttp -146.35 106.06 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 38' ' ' VAL . 82.8 p -92.23 -179.05 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 49.7 p -48.72 -32.68 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.3 30.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.76 27.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.65 143.2 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -144.69 161.82 38.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 p -143.38 141.63 30.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . . . -137.22 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -123.08 122.85 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 25' ' ' VAL . 16.0 tp -107.45 132.68 52.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -119.29 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 76' ' ' ALA . 60.9 t -113.4 127.65 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.6 mt -106.84 130.24 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -108.9 135.52 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.6 99.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -65.35 -43.08 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -116.41 99.53 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.63 170.25 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 72.8 mt -77.45 150.24 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -116.34 138.03 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.1 121.94 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 92' ' ' LEU . 51.6 m -116.42 143.21 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -121.76 112.83 18.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.59 167.08 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -102.15 164.62 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.48 102.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.51 -16.37 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.5 166.84 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HE ' HD11 ' A' ' 67' ' ' ILE . 22.2 ttt180 -99.32 118.22 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 71' ' ' ALA . 17.9 t -93.36 134.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.97 105.08 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.741 HD12 HD23 ' A' ' 66' ' ' LEU . 37.4 mt -100.21 114.98 28.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -102.13 152.17 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.7 p -161.02 160.89 31.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.3 150.47 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 33' ' ' GLU . 14.1 m -124.46 -176.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -82.63 -41.9 18.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.5 mm-40 -91.74 171.76 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -105.27 163.16 12.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.7 t0 34.76 39.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.47 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -132.1 89.97 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 83' ' ' THR . 6.3 m -83.6 158.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.7 mttm -115.03 110.85 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.5 m95 -85.04 127.68 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.8 m-85 -122.61 139.22 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -103.05 99.82 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.551 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 29.0 m-20 63.7 25.91 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.96 -30.95 7.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.58 149.88 38.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -89.49 131.75 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.05 140.63 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.22 90.41 50.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.76 -175.2 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -82.6 139.37 33.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 3.0 mtp180 -134.78 104.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 49' ' ' PRO . 18.5 mt -82.95 124.97 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -124.42 134.41 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 64' ' ' HIS . 71.0 t -106.2 110.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.22 97.81 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.05 -104.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -111.95 7.93 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 136.59 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 59' ' ' VAL . 8.3 m170 -103.27 163.83 12.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -143.77 108.6 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.741 HD23 HD12 ' A' ' 27' ' ' LEU . 16.2 tp -89.19 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' HE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.09 129.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.5 mt -121.47 102.87 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.0 129.39 37.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.45 76.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.644 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.46 110.67 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASP . 22.0 p -104.99 163.49 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -40.04 -40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.22 94.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.9 m-20 -55.72 -32.2 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 1.013 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.65 90.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -147.17 170.67 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -77.29 99.92 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -86.66 113.22 22.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -116.84 135.87 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -100.69 158.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -137.27 129.13 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.8 HG22 HG12 ' A' ' 38' ' ' VAL . 61.4 p -121.13 -177.97 3.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 p -55.49 -36.21 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -149.1 48.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.51 162.17 32.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -154.42 149.1 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -136.42 161.96 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.6 p -149.35 146.42 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -144.61 173.78 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -127.01 113.38 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 17' ' ' THR . 28.8 tp -102.98 124.83 49.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -112.44 132.25 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 1.013 HG23 ' HB2' ' A' ' 76' ' ' ALA . 86.0 t -110.94 124.05 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.4 mt -101.28 133.84 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.0 mmt -107.49 139.0 42.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.67 99.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -65.5 -37.06 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.5 tttp -118.91 119.8 35.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.93 148.08 24.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 23.0 mt -56.22 144.55 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.28 135.54 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 1.4 t0 -44.17 129.43 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.471 HG21 HG13 ' A' ' 25' ' ' VAL . 90.8 m -121.34 138.14 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -121.51 102.85 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.31 173.25 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.56 156.49 18.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.5 t -55.02 105.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.89 -21.38 20.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.7 172.76 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -106.87 121.69 44.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 92' ' ' LEU . 68.2 t -93.34 144.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -133.56 104.09 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 66' ' ' LEU . 44.5 mt -95.22 110.78 22.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 27.1 tt0 -100.31 154.52 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 31.3 p -167.59 173.68 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.5 mt-10 -140.34 160.09 40.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.1 m -130.24 -178.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 t -81.81 -38.54 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 34.7 mt-10 -94.4 175.11 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.8 p30 -108.68 165.66 11.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.2 m-20 34.48 38.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.54 173.01 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.8 96.15 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.694 HG12 HG22 ' A' ' 83' ' ' THR . 5.4 m -83.9 155.04 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.7 mppt? -110.81 111.02 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CE3' HD22 ' A' ' 66' ' ' LEU . 78.5 m95 -84.83 132.96 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 47.2 m-85 -128.73 135.3 49.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 42.9 tttt -96.7 99.39 10.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.56 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.89 26.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.63 -33.75 5.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.0 148.17 40.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.93 138.86 33.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.7 134.86 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mm -117.52 92.78 41.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.92 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.81 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -95.53 151.73 19.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 mtp85 -139.22 107.68 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' HG3' ' A' ' 49' ' ' PRO . 14.3 mt -92.62 110.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 19.6 ttm180 -106.07 147.68 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 95.6 t -116.0 119.04 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 35.7 mm-40 -128.69 112.26 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.34 -115.83 7.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -114.13 16.49 18.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -128.3 146.99 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 16.8 m-70 -112.83 152.87 28.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -139.89 107.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 27' ' ' LEU . 18.3 tp -93.29 106.35 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -95.08 133.3 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.745 ' N ' HD13 ' A' ' 67' ' ' ILE . 18.3 mt -115.23 114.62 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.54 105.17 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.49 77.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.06 91.25 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 94' ' ' VAL . 8.3 p -81.25 172.19 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -51.53 -46.28 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.77 84.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -43.54 -38.82 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -49.15 96.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.58 165.9 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -76.93 103.54 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 88.0 m-85 -86.63 111.65 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -117.26 135.81 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.489 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.9 m -99.62 165.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 ttm -146.5 113.92 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.694 HG22 HG12 ' A' ' 38' ' ' VAL . 61.5 p -103.31 -179.3 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.4 p -55.44 -30.49 60.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.25 43.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.83 163.86 37.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -154.43 150.0 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 81' ' ' VAL . 13.4 t -144.86 160.75 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -146.15 147.69 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -143.91 161.17 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -112.88 122.7 48.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 25' ' ' VAL . 21.6 tp -112.76 118.98 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t -110.38 129.72 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 76' ' ' ALA . 64.1 t -107.17 119.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -112.4 134.38 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.0 mmt -107.18 151.38 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.7 t -89.71 99.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p -66.02 -48.94 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 78.7 tttt -107.26 97.85 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -68.4 156.46 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 21.6 mt -64.82 152.84 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.8 130.52 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.87 134.86 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -130.68 143.32 50.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.6 m -121.39 105.76 10.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.27 -178.44 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' C ' HG13 ' A' ' 94' ' ' VAL . 68.2 m-85 -111.63 159.85 17.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.97 114.95 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.22 -27.65 19.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.6 167.0 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -93.88 125.94 38.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 71' ' ' ALA . 61.4 t -103.76 129.75 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.49 114.97 15.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.87 117.51 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 9.3 tt0 -99.45 150.72 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -163.12 161.89 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 11.6 mt-10 -126.91 162.21 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -129.39 -176.78 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.61 -22.07 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.6 mp0 -123.66 158.03 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 1.7 p30 -92.36 178.38 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.6 m-20 34.94 39.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.93 155.12 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -111.61 98.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 HG22 ' A' ' 83' ' ' THR . 2.9 m -85.77 157.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 10.3 mmtm -112.92 114.04 26.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 66' ' ' LEU . 74.5 m95 -90.11 135.87 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 56.0 m-85 -127.67 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -101.06 94.73 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.95 30.22 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.56 -27.18 12.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.16 153.53 31.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -86.71 131.14 34.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.3 138.1 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.9 mp -124.2 90.15 51.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.1 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -133.53 108.71 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 49' ' ' PRO . 21.3 mt -88.87 109.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -104.0 150.53 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 64' ' ' HIS . 93.3 t -118.75 118.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.45 101.23 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.99 -111.19 3.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -113.46 12.98 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -127.82 143.99 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' HG22 ' A' ' 59' ' ' VAL . 25.3 m-70 -108.45 159.6 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.9 mp -141.27 113.58 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.5 tp -96.61 98.77 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -88.98 140.25 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.713 HG21 ' OD2' ' A' ' 75' ' ' ASP . 31.5 mt -123.68 102.81 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.55 109.46 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 76.71 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.95 91.02 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.13 163.65 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -39.91 -38.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.01 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.713 ' OD2' HG21 ' A' ' 68' ' ' ILE . 6.7 t0 -41.12 -32.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.845 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.63 93.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.75 170.25 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.53 100.54 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -87.03 113.5 22.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.5 m -123.56 135.03 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.548 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -99.55 168.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ttm -146.99 120.38 9.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.549 HG22 HG12 ' A' ' 38' ' ' VAL . 36.8 p -108.63 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.7 p -56.76 -34.35 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.43 40.68 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.8 164.92 35.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.402 ' HG2' ' N ' ' A' ' 88' ' ' SER . 30.2 tt0 -154.75 155.52 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 23.2 t -148.21 158.23 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -138.91 149.76 45.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.98 146.44 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -105.58 125.1 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 25' ' ' VAL . 13.3 tp -114.32 130.51 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -121.44 128.77 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.845 HG23 ' HB2' ' A' ' 76' ' ' ALA . 47.1 t -108.69 132.63 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -89.07 88.85 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.801 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -134.32 94.54 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.61 25.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -38.06 156.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -52.53 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.6 -177.91 2.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' GLY . 98.2 mt -109.12 141.83 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -119.88 132.2 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.07 99.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 p -63.94 -45.85 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -109.65 113.73 26.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.07 145.53 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 30.9 mt -54.28 152.08 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -122.91 139.55 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.19 130.18 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 92' ' ' LEU . 96.6 m -123.76 131.87 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 m -117.55 105.01 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.79 168.86 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.403 ' CE1' ' HE3' ' A' ' 97' ' ' LYS . 51.9 m-85 -94.44 176.21 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.83 128.92 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.57 -14.14 31.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.52 168.33 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HG3' HD11 ' A' ' 67' ' ' ILE . 32.8 ttt180 -99.97 119.76 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 92' ' ' LEU . 90.4 t -95.44 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.58 117.2 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 66' ' ' LEU . 22.8 mt -107.36 109.69 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.96 150.95 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.97 165.48 27.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -130.79 150.74 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -125.02 -177.23 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -84.86 -35.93 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 33.0 mt-10 -95.72 164.5 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -99.35 163.09 12.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . 25.0 t70 34.49 39.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.62 177.3 7.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -129.77 87.11 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 83' ' ' THR . 5.3 m -77.55 160.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 44.2 mttt -114.68 112.42 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.793 ' CE3' HD22 ' A' ' 66' ' ' LEU . 69.7 m95 -87.68 127.64 35.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.8 m-85 -123.52 135.16 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.58 102.38 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.444 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.78 30.98 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.11 29.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -77.15 147.99 36.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 23.6 tt0 -87.4 128.41 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.5 mt -83.99 142.22 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -133.08 89.61 33.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.77 -165.21 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.4 29.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.18 36.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -131.36 51.48 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.6 m -128.2 169.42 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -91.77 -40.82 11.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.27 139.18 32.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.9 mtp180 -130.78 106.65 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.581 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -84.11 121.61 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -116.04 139.31 50.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.16 122.32 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -128.43 100.98 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -106.03 1.03 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -117.96 24.3 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -137.53 139.79 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.557 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.6 m-70 -108.01 156.57 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.557 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -140.11 108.0 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.9 tp -94.63 101.15 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.863 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.27 147.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.863 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.0 mt -126.08 113.73 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.85 108.76 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.85 86.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.37 96.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -93.36 174.82 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.596 ' H ' HG22 ' A' ' 72' ' ' THR . 13.6 mmtp -54.62 -14.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.93 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.9 -31.11 64.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.067 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.94 94.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -148.75 171.6 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.29 100.36 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.64 115.85 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -121.39 135.46 55.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.1 155.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 ttm -138.28 123.3 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 38' ' ' VAL . 57.8 p -112.57 -174.95 2.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -63.15 -21.79 66.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -158.44 42.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.71 161.86 35.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -154.71 147.71 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.426 ' HB3' HG22 ' A' ' 81' ' ' VAL . 21.8 t -143.42 162.29 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.01 148.79 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -146.14 167.42 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -119.63 119.98 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 25' ' ' VAL . 36.6 tp -109.4 109.37 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -102.55 125.88 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.067 HG23 ' HB2' ' A' ' 76' ' ' ALA . 83.1 t -100.4 130.64 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.16 136.0 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' LYS . 18.1 mt -82.71 106.65 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -36.56 122.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.8 t -86.47 145.25 26.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.89 159.21 34.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -77.26 88.62 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.9 t -136.5 146.97 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -112.6 163.82 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -160.08 123.52 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.61 -53.35 4.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -79.02 137.77 37.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -114.78 158.76 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.28 172.78 25.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 90.9 mt -111.92 125.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.1 mmt -104.23 136.2 44.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.64 100.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -65.91 -41.19 91.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 72.2 tttt -116.22 96.66 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -63.15 160.8 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.686 HD11 HG13 ' A' ' 81' ' ' VAL . 57.5 mt -70.59 151.9 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -120.72 141.5 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.01 142.07 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 92' ' ' LEU . 88.8 m -139.52 141.03 37.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -122.85 107.31 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -115.51 164.07 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -66.5 105.62 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.71 -10.26 32.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.79 166.84 21.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' NE ' HG13 ' A' ' 67' ' ' ILE . 15.5 ttt180 -96.56 118.28 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 71' ' ' ALA . 58.0 t -94.75 138.0 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.15 116.19 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.25 109.55 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -98.05 150.04 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 p -162.32 165.05 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 21.8 mt-10 -132.66 155.82 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.8 m -128.18 -177.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -79.5 -42.03 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.39 -176.16 5.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 25.1 p30 -115.46 153.2 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 34.78 41.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.87 174.32 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -114.3 93.22 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -87.52 154.04 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -112.0 114.47 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.621 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.6 m95 -88.1 138.81 31.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 44.7 m-85 -133.34 137.13 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 16.9 tttt -102.56 98.2 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 68.79 31.35 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.89 -27.09 22.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.51 148.55 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 28.1 tt0 -84.8 136.08 33.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.2 mt -95.44 145.72 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.51 93.54 21.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.694 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.1 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.28 -169.66 28.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -33.61 16.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -112.32 44.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -130.54 167.76 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 8.7 mpt_? -93.79 -34.78 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -86.23 136.06 33.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 67' ' ' ILE . 12.4 mtm180 -130.38 109.59 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.694 HD12 ' HG3' ' A' ' 49' ' ' PRO . 62.6 mt -87.97 139.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.73 138.52 45.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.01 122.01 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -132.71 103.51 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.77 -113.66 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -115.17 23.56 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -138.51 136.99 36.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.442 ' C ' HD12 ' A' ' 65' ' ' ILE . 22.4 m-70 -101.25 159.66 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.46 107.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' CE3' ' A' ' 40' ' ' TRP . 41.3 tp -94.27 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.475 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.89 133.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -113.06 110.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.77 113.4 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.2 81.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.88 92.34 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 p -74.71 172.12 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -57.83 -37.29 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.23 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 77' ' ' ALA . 11.4 m-20 -51.11 -38.94 54.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -45.26 92.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -147.52 171.71 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -78.73 100.66 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 60.0 m-85 -86.69 112.79 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.2 m -121.1 141.3 50.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 14' ' ' LEU . 1.6 m -102.81 162.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -141.96 127.15 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.532 HG22 HG12 ' A' ' 38' ' ' VAL . 72.3 p -118.78 -175.59 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.9 p -61.31 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.98 38.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.98 159.6 31.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -154.9 145.43 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -144.78 151.04 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -138.83 145.27 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -138.32 171.23 14.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -120.08 127.84 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 tp -118.43 123.59 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -115.52 111.8 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG23 ' HB2' ' A' ' 76' ' ' ALA . 80.1 t -93.79 117.62 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.18 163.94 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -97.29 106.88 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -63.51 171.06 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.6 p -45.72 -32.19 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.57 143.08 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.1 32.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 t -84.61 152.11 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.2 p -60.03 133.88 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.489 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -147.46 164.44 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -143.1 169.75 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.33 117.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -174.62 114.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.796 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -110.83 97.36 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.06 -176.45 7.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 91.7 mt -116.9 127.67 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mmt -104.76 139.81 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.48 100.95 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -65.62 -48.63 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -107.33 94.51 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -64.8 155.77 32.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 22.9 mt -63.51 146.8 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.4 139.05 51.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.8 135.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -129.49 141.24 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 m -122.57 106.83 11.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.03 178.13 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -105.66 161.2 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.45 107.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.56 -22.2 31.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.13 167.9 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 26' ' ' GLU . 23.6 ttt180 -98.29 120.69 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 92' ' ' LEU . 41.2 t -96.06 135.86 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 26.8 mt-10 -131.69 108.5 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 66' ' ' LEU . 33.6 mt -99.11 112.74 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 5.6 tt0 -100.77 146.68 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 p -158.08 156.43 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -121.56 154.25 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.5 m -126.38 -179.76 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.7 t -87.44 -2.07 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.5 mm-40 -128.36 170.39 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' ASP . 7.2 p-10 -108.63 161.66 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 73.7 m-20 35.52 40.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.87 175.91 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -126.54 88.69 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.5 m -80.85 160.06 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.9 mmtt -117.04 115.02 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 66' ' ' LEU . 60.3 m95 -90.65 132.07 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 57.0 m-85 -125.95 135.63 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.1 tttp -101.31 99.57 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 63.78 30.58 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -20.18 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.31 144.84 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.65 127.36 33.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.84 132.06 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.6 mm -118.38 90.97 40.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.53 5.52 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.57 -169.74 37.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -29.17 24.44 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -104.89 -37.89 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -45.45 163.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -91.29 -35.56 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -83.67 139.83 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 9.5 mtp85 -135.86 105.25 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' A' ' 40' ' ' TRP . 51.7 mt -86.6 109.9 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -107.32 139.07 42.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.3 p -114.99 121.74 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -124.36 110.95 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.93 -106.18 1.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -119.97 20.17 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 8.0 ptpp? -133.73 142.91 48.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CE1' HG13 ' A' ' 38' ' ' VAL . 24.1 m-70 -108.17 151.12 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.06 122.17 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' CE3' ' A' ' 40' ' ' TRP . 30.9 tp -105.7 101.06 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.947 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -89.84 146.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.947 ' N ' HD13 ' A' ' 67' ' ' ILE . 20.8 mt -132.25 104.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.21 105.91 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.59 87.04 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.15 92.26 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' HG21 ' A' ' 94' ' ' VAL . 18.2 p -84.23 177.98 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -55.03 -34.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.18 68.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -59.22 -28.64 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.83 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.81 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.76 103.85 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 85.2 m-85 -89.91 111.47 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -115.88 137.85 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 14' ' ' LEU . 3.0 m -102.39 160.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.4 ttp -142.49 113.1 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.554 HG22 HG12 ' A' ' 38' ' ' VAL . 82.0 p -101.82 -176.18 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.2 p -60.63 -24.38 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -156.54 44.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.72 163.42 36.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -154.7 146.73 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -140.68 162.81 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -147.84 142.13 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.637 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.29 160.58 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -114.5 118.92 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 25' ' ' VAL . 46.3 tp -108.93 119.84 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -111.28 138.39 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 76' ' ' ALA . 90.8 t -114.64 131.06 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -130.8 167.46 18.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -96.36 123.39 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -57.14 141.36 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -95.71 100.45 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.09 83.72 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.66 12.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.312 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -95.06 173.33 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.6 m -63.81 -51.39 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 m -58.7 139.55 55.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -82.72 112.22 19.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.71 135.68 4.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -50.77 136.53 21.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -112.19 -54.45 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.98 177.82 48.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 86.3 mt -115.04 119.92 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.12 141.92 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.04 99.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 p -64.37 -49.29 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -101.31 102.86 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -75.46 156.55 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.66 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 20.1 mt -67.69 152.52 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -122.85 141.34 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.31 127.29 14.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD12 ' A' ' 92' ' ' LEU . 54.1 m -121.57 138.87 54.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 m -117.64 105.48 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.05 168.92 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -94.39 174.37 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.71 119.84 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.22 -21.08 48.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.47 167.3 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -101.05 122.72 44.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG21 HD21 ' A' ' 92' ' ' LEU . 40.7 t -96.31 137.95 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.03 109.65 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD12 HD23 ' A' ' 66' ' ' LEU . 43.9 mt -101.25 111.76 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -100.82 150.23 23.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -160.79 170.71 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -134.78 164.97 26.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -132.48 -178.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -77.99 -33.35 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 mm-40 -103.1 -175.24 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -117.75 164.0 15.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 t0 38.37 49.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.26 178.66 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -129.49 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -80.83 155.77 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 55.1 mttp -111.53 111.12 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 66' ' ' LEU . 48.8 m95 -88.1 130.35 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 38.4 m-85 -125.85 138.18 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -104.98 100.77 10.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.786 HD21 ' HB1' ' A' ' 77' ' ' ALA . 19.8 m120 67.13 30.92 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 -24.69 31.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.63 151.12 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.52 129.21 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -82.79 135.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.76 90.1 45.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 54.0 Cg_endo -69.77 -176.53 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.29 -174.32 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.36 8.33 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -130.62 -35.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 49' ' ' PRO . 44.9 t -50.17 160.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -87.42 -17.45 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -104.84 146.69 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 28.0 mtp180 -136.59 108.27 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.26 120.82 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -123.77 141.51 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.11 127.16 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -130.34 113.44 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.56 -107.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -120.14 19.13 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -135.69 136.67 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 21.9 m-70 -102.71 163.52 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.3 mp -146.18 116.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 40' ' ' TRP . 37.5 tp -102.66 105.7 16.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -95.61 141.13 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 67' ' ' ILE . 11.0 mt -125.24 104.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.79 103.34 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.57 83.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -89.84 90.61 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.83 160.72 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.72 -47.59 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.1 86.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -40.17 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -51.89 95.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.2 170.46 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.39 100.07 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -86.79 111.43 20.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m -114.54 136.62 52.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -99.51 166.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -151.07 113.91 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.606 HG22 HG12 ' A' ' 38' ' ' VAL . 63.5 p -104.58 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.1 p -50.09 -36.24 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.06 41.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.14 160.28 30.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.07 140.65 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -141.31 162.16 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -147.27 144.16 28.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -139.43 155.47 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -106.57 121.45 44.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 17' ' ' THR . 21.7 tp -114.29 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -111.6 124.68 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.4 t -102.82 123.77 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.58 160.28 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.34 113.69 25.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -68.24 147.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -135.0 176.17 8.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.08 145.75 18.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -120.12 164.06 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.7 m -120.61 118.62 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -108.84 144.9 36.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 39.8 p -79.12 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.38 -85.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -83.38 164.84 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -120.55 81.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.98 -178.53 23.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 77.2 mt -115.68 123.96 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 mmt -106.32 138.76 41.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.94 101.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -65.8 -43.27 89.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -112.33 101.11 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -69.63 147.89 50.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 20.8 mt -58.65 156.55 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.88 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.25 129.29 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 m -119.87 147.49 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.57 HG23 ' OG ' ' A' ' 93' ' ' SER . 78.5 m -124.08 105.31 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -110.92 -178.39 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -116.58 158.56 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 11.4 t -57.16 108.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.35 -20.12 38.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.65 163.5 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.1 ttm180 -97.68 126.4 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 HD21 ' A' ' 92' ' ' LEU . 39.9 t -98.97 132.21 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -122.98 106.78 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 66' ' ' LEU . 41.5 mt -98.27 111.23 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.98 151.24 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.9 p -163.2 165.19 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -129.86 158.09 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.8 m -129.54 178.71 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -77.16 -40.2 46.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.3 mm-40 -93.76 172.9 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -106.77 162.13 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 35.14 41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.26 -179.31 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.91 91.53 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 83' ' ' THR . 5.0 m -81.91 153.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -110.77 114.27 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.8 m95 -89.02 139.57 30.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 41.6 m-85 -133.62 137.47 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -103.62 103.76 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.464 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 28.7 m-20 63.47 26.0 14.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.0 -29.81 9.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.57 152.02 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.18 141.35 30.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.01 138.26 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -124.69 89.94 51.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.81 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -173.44 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.331 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.85 -171.19 31.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.68 14.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 41.42 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -125.28 165.79 17.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -86.13 -44.56 12.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -82.3 141.7 32.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 25.3 mtp85 -137.28 109.63 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.81 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.5 mt -89.8 109.2 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -103.24 150.95 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.8 118.51 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -126.69 98.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.57 -116.26 8.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -109.7 19.36 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.64 137.01 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' C ' HD12 ' A' ' 65' ' ' ILE . 20.5 m-70 -102.22 160.34 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.76 111.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 40' ' ' TRP . 50.8 tp -95.62 104.27 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.13 135.42 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 25' ' ' VAL . 14.4 mt -118.04 115.38 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.56 107.43 15.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.6 73.88 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -80.46 91.83 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -90.23 170.52 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' H ' HG22 ' A' ' 72' ' ' THR . 1.7 mptp? -46.38 -34.68 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.34 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.64 -27.85 59.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.98 89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -149.05 170.47 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -80.1 102.93 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -86.61 112.41 21.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.5 m -122.34 138.7 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.658 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -101.17 170.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.6 tmm? -150.6 123.07 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.645 HG22 HG12 ' A' ' 38' ' ' VAL . 69.0 p -115.93 -177.43 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -28.79 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -154.15 46.78 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.89 158.59 30.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -154.44 137.0 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -131.09 158.31 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p -142.66 146.9 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -108.87 138.08 45.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 25' ' ' VAL . 32.4 tp -119.55 135.05 54.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.57 ' OG ' HG23 ' A' ' 18' ' ' THR . 4.0 p -121.58 140.38 52.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 21' ' ' CYS . 39.2 t -126.28 117.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.87 160.42 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -89.16 117.47 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -56.47 -49.53 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 t -110.88 110.87 21.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.59 -158.01 27.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.48 62.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -96.89 122.23 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.5 m -87.66 150.24 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -75.21 -53.29 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 p -72.11 145.28 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.88 -169.12 26.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -144.63 111.83 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -167.02 152.27 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.73 -170.67 38.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.446 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 92.7 mt -120.16 130.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.18 144.74 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -87.06 103.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -66.89 -44.44 80.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -112.35 112.65 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.98 151.49 24.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.702 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 7.7 mt -62.43 147.96 47.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -116.86 136.92 52.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 129.39 6.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 149.08 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -130.54 108.5 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.04 -179.02 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -106.05 167.13 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.9 p -69.83 108.23 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.07 -6.18 39.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.88 169.96 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -102.73 122.17 43.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 92' ' ' LEU . 45.8 t -93.93 139.24 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -132.04 116.11 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 mt -106.62 114.66 28.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -100.69 151.61 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.63 163.94 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -131.51 154.17 49.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -123.24 -175.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 p -85.89 -16.4 38.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.0 mm-40 -113.78 -177.74 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.04 156.6 27.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 37.57 37.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.76 -176.13 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.62 92.23 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -83.93 157.79 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' MET . 26.9 mttm -117.27 116.45 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CE3' HD22 ' A' ' 66' ' ' LEU . 43.0 m95 -91.75 139.59 30.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 31.8 m-85 -134.74 131.83 38.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -101.36 107.99 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.665 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 35.6 m120 63.83 27.28 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.95 -24.64 30.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -81.5 142.48 32.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.74 139.84 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.3 mt -93.19 145.91 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -133.25 89.59 32.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.77 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.8 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.63 -175.85 34.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.25 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -126.22 42.75 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 m -130.23 164.11 25.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -82.22 -42.84 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -80.99 136.48 36.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 30.3 mtp180 -133.35 108.52 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.77 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -89.38 120.13 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -116.36 140.08 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.55 119.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -125.77 100.32 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.37 -116.36 7.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -109.68 16.3 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -134.72 132.81 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' HG13 ' A' ' 38' ' ' VAL . 15.2 m-70 -97.48 165.95 11.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -147.01 116.62 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.0 tp -101.45 111.13 23.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.93 138.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 67' ' ' ILE . 19.3 mt -121.59 104.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.53 107.77 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.56 91.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.631 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.94 99.38 12.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 p -94.84 178.53 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -49.89 -45.42 50.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.28 91.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.17 -31.01 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -67.91 91.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.665 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -145.17 171.51 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -78.47 102.03 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.46 113.9 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -121.42 136.71 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.8 169.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LYS . 7.2 tmm? -150.77 110.67 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.573 HG22 HG12 ' A' ' 38' ' ' VAL . 48.8 p -97.02 -176.35 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.4 p -65.73 -7.2 14.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -169.55 33.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.61 164.41 33.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -154.72 139.3 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -137.1 159.79 40.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 p -141.18 149.94 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -153.36 140.56 19.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -99.07 124.39 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD21 HG21 ' A' ' 25' ' ' VAL . 22.1 tp -111.71 114.66 27.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -102.52 130.29 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 76' ' ' ALA . 29.5 t -109.59 131.77 59.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.12 165.19 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 96' ' ' LEU . 3.8 mp -94.93 119.93 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -68.6 -54.37 16.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.9 p -111.39 130.99 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.17 149.41 17.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -16.89 38.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.4 m -40.2 120.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.3 m -66.86 -55.27 15.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -109.68 108.29 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -38.45 110.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.89 135.08 7.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -78.8 113.25 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -48.72 131.41 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.21 162.6 9.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 79.4 mt -95.01 121.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mmt -99.64 139.64 35.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.42 99.02 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -64.42 -47.79 77.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -105.77 98.09 7.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -66.28 155.82 36.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD11 HG13 ' A' ' 81' ' ' VAL . 42.5 mt -64.87 149.49 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -121.16 139.72 52.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 1.3 t0 -46.37 129.88 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 92' ' ' LEU . 24.2 m -124.35 128.25 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.4 m -111.34 104.73 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.66 -179.66 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -107.78 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -73.81 116.04 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.15 -28.28 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.62 167.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.811 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.6 ttm180 -99.91 127.83 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 71' ' ' ALA . 40.4 t -100.46 141.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -133.78 105.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.748 HD12 HD23 ' A' ' 66' ' ' LEU . 47.3 mt -94.63 110.5 22.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 8.8 tt0 -100.6 147.59 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.8 p -159.83 165.53 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.17 156.48 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.7 m -126.11 -178.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -81.37 -33.06 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.2 mm-40 -99.85 179.02 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.7 p30 -112.4 164.2 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.4 m-20 34.98 46.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.36 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -129.17 88.62 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -77.31 161.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.4 mtmt -118.68 111.73 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 66' ' ' LEU . 52.6 m95 -86.64 133.86 33.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 34.7 m-85 -128.0 135.21 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 17.3 tttt -103.32 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.603 HD21 ' HB1' ' A' ' 77' ' ' ALA . 7.0 m120 68.6 29.08 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.55 -24.67 30.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -81.58 142.84 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -83.13 127.3 33.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.37 137.47 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -121.58 90.34 47.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.14 -166.95 30.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.644 2.229 . . . . 0.0 112.415 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 61.69 41.38 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -118.06 163.76 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -78.14 -46.21 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -94.33 138.42 32.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -138.98 105.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 49' ' ' PRO . 43.2 mt -81.04 117.14 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -122.53 136.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -113.39 133.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -131.73 108.57 9.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.17 -104.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -120.56 20.16 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -137.67 136.17 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CE1' HG13 ' A' ' 38' ' ' VAL . 20.2 m-70 -101.22 159.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -142.31 110.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.748 HD23 HD12 ' A' ' 27' ' ' LEU . 40.9 tp -95.37 103.91 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -92.05 146.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.094 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.0 mt -131.38 102.89 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.57 108.32 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.59 82.64 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.7 93.28 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -94.73 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' THR . 3.2 mptp? -34.19 -51.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.64 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -44.41 -41.08 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.835 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -48.07 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.51 165.22 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.91 100.75 8.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 72.5 m-85 -86.55 111.78 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -118.48 136.18 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.5 163.7 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -144.05 120.14 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.597 HG22 HG12 ' A' ' 38' ' ' VAL . 76.1 p -113.34 176.14 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.8 p -47.54 -35.67 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.92 45.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.18 158.3 30.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -154.75 141.01 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -145.11 161.7 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.4 t -147.45 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -142.51 178.15 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -125.41 122.03 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 25' ' ' VAL . 12.0 tp -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -94.63 130.18 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' A' ' 76' ' ' ALA . 11.7 t -112.15 130.7 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.78 167.37 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.87 117.01 31.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -59.41 108.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.6 p -127.17 98.71 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.28 -158.07 9.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.19 34.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -111.57 121.19 44.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -83.41 -59.0 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -134.04 96.67 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.809 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -172.08 143.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.14 -167.97 38.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -93.09 79.62 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -42.57 105.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.37 170.43 41.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.777 HD13 ' HB1' ' A' ' 36' ' ' ALA . 92.5 mt -113.03 133.03 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.5 mmt -110.49 133.81 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.67 98.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -61.66 -38.92 89.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 13.5 ttmm -118.1 110.71 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -78.56 152.79 31.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.745 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 26.1 mt -57.01 154.86 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 58.3 mt-10 -123.89 124.87 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -34.43 137.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -131.14 147.96 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 m -128.94 104.89 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.92 173.02 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD2' ' HE3' ' A' ' 97' ' ' LYS . 64.8 m-85 -108.58 159.54 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 t -54.4 108.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.91 8.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.1 169.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NE ' HG13 ' A' ' 67' ' ' ILE . 39.1 ttt180 -102.96 123.41 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.747 HG23 ' HB2' ' A' ' 71' ' ' ALA . 47.2 t -94.66 137.68 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -133.84 103.9 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.51 109.22 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -95.89 158.99 15.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.9 p -167.01 168.25 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 23.5 mt-10 -133.17 154.6 50.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.5 m -126.45 -176.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.7 p -76.5 -36.11 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.1 pt-20 -116.26 177.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.29 162.69 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.5 m-20 35.43 37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.777 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -68.38 105.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -52.83 87.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 36' ' ' ALA . 5.9 m -88.11 163.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.1 mmtt -120.57 115.11 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CG ' HD12 ' A' ' 66' ' ' LEU . 65.8 m95 -92.0 128.04 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 71.9 m-85 -121.09 141.1 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.4 tttt -105.28 93.44 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 69.39 30.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 -29.54 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.28 150.78 33.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.55 134.47 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.25 141.98 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 mm -130.34 89.86 43.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.42 -168.17 25.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -39.54 6.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -106.58 42.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.7 m -129.16 166.56 19.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.63 -45.35 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 47.1 m-85 -79.72 144.19 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 67' ' ' ILE . 31.2 mtp180 -141.37 113.66 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.9 mt -92.93 132.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 49.3 ttm-85 -117.71 154.56 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 35' ' ' ASP . 84.6 t -125.28 125.43 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.4 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -114.04 21.07 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' HD11 ' A' ' 65' ' ' ILE . 2.4 ptpt -135.62 145.67 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' C ' HD12 ' A' ' 65' ' ' ILE . 19.5 m-70 -115.28 160.34 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -147.95 113.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.633 HD12 ' CG ' ' A' ' 40' ' ' TRP . 8.8 tt -96.18 112.97 24.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.869 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -98.2 143.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.869 ' N ' HD13 ' A' ' 67' ' ' ILE . 23.9 mt -127.64 104.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -71.77 108.31 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.2 80.54 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.747 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -85.55 88.8 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.409 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -84.26 161.61 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' THR . 34.4 mmtt -37.21 -58.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.82 -47.7 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 72' ' ' THR . 1.1 m-20 -41.48 -36.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.41 93.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.05 171.19 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.4 101.75 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 57.0 m-85 -87.51 114.36 24.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.9 m -126.23 142.89 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -105.26 166.56 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttm -147.11 135.77 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.541 HG22 HG12 ' A' ' 38' ' ' VAL . 46.5 p -126.35 177.89 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -53.69 -18.0 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -165.31 46.64 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.06 161.0 34.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -154.55 141.12 18.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.49 ' HB3' HG22 ' A' ' 81' ' ' VAL . 25.5 t -135.03 153.82 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 p -135.65 150.41 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.745 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -153.61 146.13 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -99.54 138.55 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 25' ' ' VAL . 23.7 tp -125.0 109.14 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -99.4 116.65 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.03 113.34 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.54 165.97 11.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.3 104.82 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HE3' ' CD2' ' A' ' 20' ' ' TYR . 14.9 ttmt -44.48 148.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t 64.08 43.05 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -121.81 -95.24 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 107.74 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.6 p -152.39 140.86 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.1 m -99.49 175.29 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.79 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.532 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -68.41 145.61 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -56.83 95.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.87 -167.82 41.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -102.86 136.73 42.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -123.14 83.06 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.86 179.81 16.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 36' ' ' ALA . 80.2 mt -118.35 129.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -109.14 141.65 41.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 HE21 ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.29 98.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 p -63.26 -49.29 74.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.9 tttp -98.63 102.83 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.476 HE21 HG13 ' A' ' 10' ' ' VAL . 36.2 mm-40 -73.18 162.66 29.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD11 HG13 ' A' ' 81' ' ' VAL . 55.5 mt -68.79 155.8 39.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -124.15 139.24 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 134.56 18.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' LEU . 92.6 m -130.47 141.95 50.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -123.1 104.13 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -107.7 177.26 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CG ' ' HG3' ' A' ' 97' ' ' LYS . 38.4 m-85 -109.42 173.22 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.4 111.88 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.93 -18.25 52.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 57.8 mt-10 -69.48 164.9 22.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 122.51 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.9 t -94.51 140.22 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -132.83 111.41 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 mt -103.17 116.38 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.73 150.33 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.5 p -161.07 175.77 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 40.4 mt-10 -137.94 162.83 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 36' ' ' ALA . 1.1 m -131.43 -175.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -86.42 -34.29 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 9.0 mm-40 -123.64 132.93 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -57.4 174.67 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.6 p30 38.46 43.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.525 ' CB ' HD13 ' A' ' 8' ' ' ILE . . . -92.15 99.15 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -57.62 90.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.708 HG12 HG22 ' A' ' 83' ' ' THR . 5.5 m -80.33 157.45 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 25.0 mttm -114.1 114.04 25.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.754 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.1 m95 -91.13 129.67 37.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 74.3 m-85 -124.71 136.33 53.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -105.41 99.23 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.89 28.02 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.68 -22.65 38.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -83.01 147.16 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -82.88 132.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -88.5 136.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -122.19 89.7 48.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.91 -177.13 39.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.5 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.375 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -132.87 -35.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 54' ' ' ARG . 1.7 t -47.23 174.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -99.1 -29.85 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.21 144.97 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp180 -132.62 107.44 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 49' ' ' PRO . 20.7 mt -90.39 117.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' CD ' ' OE1' ' A' ' 60' ' ' GLU . 19.6 ttm105 -115.44 157.3 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.738 HG22 ' CE1' ' A' ' 64' ' ' HIS . 85.3 t -127.8 125.47 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' OE1' ' CD ' ' A' ' 58' ' ' ARG . 1.6 mp0 -124.48 103.53 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.1 -104.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -116.31 14.24 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -131.22 134.3 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.738 ' CE1' HG22 ' A' ' 59' ' ' VAL . 23.5 m-70 -100.4 162.56 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.74 116.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' CE3' ' A' ' 40' ' ' TRP . 42.6 tp -102.1 108.27 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.586 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.98 133.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 67' ' ' ILE . 16.2 mt -115.69 108.31 24.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.44 110.94 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.33 83.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.38 105.81 18.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -103.14 155.03 18.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' THR . 2.6 mmmp? -34.32 -44.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.35 73.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.656 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -46.67 -36.02 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 91.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.59 167.54 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.94 102.88 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -86.55 113.29 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -121.65 135.93 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.683 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.26 165.18 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -145.84 115.23 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 HG12 ' A' ' 38' ' ' VAL . 82.4 p -101.86 -174.96 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 45.3 p -57.37 -31.3 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.19 34.93 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.19 166.59 32.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 88' ' ' SER . 32.8 tt0 -154.76 155.89 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 81' ' ' VAL . 14.6 t -148.21 159.75 43.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 p -149.2 142.2 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -142.55 -175.04 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -132.12 127.43 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 25' ' ' VAL . 19.0 tp -111.88 104.48 12.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -93.86 126.37 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.656 HG21 ' OD2' ' A' ' 75' ' ' ASP . 54.8 t -108.33 130.28 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.19 166.68 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.7 mt -107.94 111.11 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.52 ' HG3' ' CG ' ' A' ' 20' ' ' TYR . 24.1 mtpt -52.7 -45.71 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.2 p -88.15 129.51 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -40.83 147.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.75 -37.91 8.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 100' ' ' PRO . 54.2 p -34.65 127.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -90.33 156.03 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -127.92 128.54 45.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -101.12 135.52 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 138.85 3.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -110.45 -51.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -89.04 166.92 13.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 -177.41 45.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 36' ' ' ALA . 96.8 mt -113.55 128.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -108.17 134.05 51.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.32 100.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -117.06 99.93 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -68.46 160.78 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.621 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 46.8 mt -63.79 152.87 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -122.28 136.01 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.91 132.74 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.2 m -128.42 144.96 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.8 m -129.21 106.61 8.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.58 -178.54 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -112.71 171.95 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 t -67.47 113.7 5.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.64 -30.54 9.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.0 160.05 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.33 124.66 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.74 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.5 t -95.93 136.89 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -130.96 117.04 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 66' ' ' LEU . 34.5 mt -106.32 111.68 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -99.2 147.91 24.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.9 p -159.25 163.05 36.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -126.67 157.76 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 36' ' ' ALA . 2.6 m -129.7 -177.87 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -86.63 -28.79 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.64 140.33 51.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -63.16 166.1 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HA ' HG11 ' A' ' 59' ' ' VAL . 13.5 t0 35.78 51.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -85.33 99.17 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -55.47 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.908 HG12 HG22 ' A' ' 83' ' ' THR . 12.6 m -84.62 160.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 43.4 mttt -118.18 110.79 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.504 ' CE3' HD22 ' A' ' 66' ' ' LEU . 67.1 m95 -85.98 120.36 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 49.3 m-85 -113.55 139.51 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -106.37 103.69 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.754 HD21 ' HB1' ' A' ' 77' ' ' ALA . 32.3 m120 65.51 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.67 -28.65 11.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.07 151.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.62 132.62 34.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -90.05 133.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.7 mm -122.7 90.07 49.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.796 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -165.64 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.14 -169.87 33.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -18.27 36.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.39 48.75 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -127.86 164.72 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -86.32 -42.38 13.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -79.83 136.24 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 8.5 mtt-85 -128.73 112.95 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.796 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.8 mt -97.96 110.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -109.51 147.85 32.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.939 HG22 ' CE1' ' A' ' 64' ' ' HIS . 72.7 t -116.9 105.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.5 -105.69 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -115.82 10.48 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -126.52 134.09 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.939 ' CE1' HG22 ' A' ' 59' ' ' VAL . 22.8 m-70 -95.96 159.95 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.15 118.33 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 27' ' ' LEU . 14.0 tp -104.06 110.75 23.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -101.75 137.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.734 HG21 ' OD2' ' A' ' 75' ' ' ASP . 19.1 mt -119.99 104.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.55 106.6 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.99 78.52 1.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.51 93.29 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -87.08 168.48 13.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 mmmm -45.44 -32.52 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.72 -48.42 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.734 ' OD2' HG21 ' A' ' 68' ' ' ILE . 7.2 t0 -39.59 -38.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.932 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.754 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -149.69 169.93 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.6 103.1 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -91.29 113.05 25.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -120.3 134.86 55.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.493 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.8 m -99.53 164.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 ttm -143.33 123.7 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.908 HG22 HG12 ' A' ' 38' ' ' VAL . 63.3 p -112.99 -175.86 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 p -62.95 -27.27 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -153.29 42.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.79 163.71 36.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 88' ' ' SER . 27.7 tt0 -154.57 155.07 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 8.5 t -147.08 159.24 43.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 p -147.3 145.9 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.621 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.64 175.73 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -128.03 117.44 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 25' ' ' VAL . 34.8 tp -107.31 124.72 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -117.69 126.85 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.932 HG23 ' HB2' ' A' ' 76' ' ' ALA . 95.7 t -106.82 121.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.03 163.37 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.9 mt -93.34 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -77.75 144.2 37.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.9 p -80.4 95.64 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.15 -95.02 0.16 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.64 23.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 p -90.86 -44.54 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 t -90.05 -51.52 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -130.98 41.99 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -162.28 151.67 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.32 -76.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -100.3 108.1 20.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -118.86 126.87 52.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.03 175.33 40.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.9 mt -100.05 135.31 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.5 mmt -113.39 138.46 50.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.92 100.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -67.09 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -119.46 97.72 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -62.76 155.2 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 16.8 mt -62.88 155.99 25.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -125.18 126.32 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.82 135.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 92' ' ' LEU . 72.6 m -127.65 140.35 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -127.02 113.49 16.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.44 152.37 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.65 172.07 13.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' ASP . 49.0 t -68.85 119.75 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.76 -16.92 57.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -73.0 164.47 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 67' ' ' ILE . 5.9 ttm180 -99.99 122.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG23 ' HB2' ' A' ' 71' ' ' ALA . 59.8 t -93.48 139.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -133.08 121.07 22.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 66' ' ' LEU . 52.4 mt -110.98 112.32 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 7.8 tt0 -100.2 149.98 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.485 ' HG ' ' HH2' ' A' ' 40' ' ' TRP . 1.1 p -164.1 160.96 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -124.04 160.78 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -131.37 178.01 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 t -79.31 -30.01 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 31' ' ' VAL . 49.6 mt-10 -103.76 164.97 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.05 156.76 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 39.75 49.97 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 179.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -129.22 92.4 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG12 HG22 ' A' ' 83' ' ' THR . 5.2 m -82.29 159.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 26.3 mttp -114.73 111.1 20.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.2 m95 -85.88 129.29 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.3 m-85 -124.15 132.26 53.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 25.2 tttm -82.88 97.53 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 10.2 p30 50.55 24.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.02 3.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.8 146.48 48.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.49 120.95 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -84.62 131.67 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.4 mm -120.87 90.09 46.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.4 Cg_endo -69.74 -174.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.7 -169.97 31.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -24.99 29.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.266 . . . . 0.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -124.48 47.15 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.2 m -129.26 164.06 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -83.88 -43.95 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -84.32 143.27 29.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.1 mtp85 -135.2 110.12 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG12 HD13 ' A' ' 66' ' ' LEU . 51.6 mt -94.8 117.08 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -119.41 145.63 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.4 p -117.31 121.93 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -120.91 103.04 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.89 -107.01 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -119.2 18.82 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -135.21 141.81 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' ND1' HG22 ' A' ' 38' ' ' VAL . 18.1 m-70 -104.31 157.09 17.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.95 112.52 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -98.56 104.08 16.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.65 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.4 143.57 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' ILE . 27.7 mt -126.92 101.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -69.77 110.38 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.5 87.51 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.85 91.55 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.5 p -89.25 163.98 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -46.39 -28.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -35.74 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -15.65 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -68.03 93.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -149.76 163.93 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ASN . 32.9 tt0 -76.37 103.96 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -86.43 113.72 22.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.2 m -119.69 135.47 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -99.33 158.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.5 ttm -135.67 127.09 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 HG12 ' A' ' 38' ' ' VAL . 59.6 p -118.28 -179.85 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.7 p -57.76 -31.35 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.32 42.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.9 162.26 36.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' A' ' 88' ' ' SER . 50.7 tt0 -153.96 156.13 36.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.471 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.7 t -147.8 160.17 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.1 p -138.98 147.43 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -149.96 141.25 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -98.76 126.39 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 25' ' ' VAL . 23.6 tp -110.35 117.0 32.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -105.8 130.17 53.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 72' ' ' THR . 78.6 t -105.62 136.87 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' CYS . 7.2 t0 -125.68 167.19 15.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 96' ' ' LEU . 12.6 mt -109.11 133.3 53.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 98' ' ' SER . 1.5 tmtp? -79.8 111.93 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 16.0 m -113.99 81.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.18 -80.56 0.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 150.56 68.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.217 . . . . 0.0 112.309 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.0 m -50.62 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -151.46 129.14 11.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.543 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -59.65 137.87 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -63.98 135.22 56.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.67 103.31 2.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -69.13 98.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -71.69 -60.46 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.26 172.26 31.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.9 mt -102.35 125.52 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 11.4 mmt -101.86 148.02 25.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.0 t -87.68 98.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -63.49 -41.02 98.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 31.5 tttp -117.68 112.33 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -78.24 157.7 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 47.3 mt -62.38 169.53 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -137.74 136.63 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.86 129.42 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 18' ' ' THR . 8.9 m -124.28 152.74 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 17' ' ' THR . 84.7 m -137.07 106.64 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.71 175.44 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 79.4 m-85 -104.2 160.74 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.41 108.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.83 -14.33 34.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.13 166.3 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' NE ' HG13 ' A' ' 67' ' ' ILE . 18.1 ttt180 -101.19 118.55 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 71' ' ' ALA . 21.2 t -93.25 140.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.86 109.05 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.742 HD12 HD23 ' A' ' 66' ' ' LEU . 29.3 mt -99.78 112.84 25.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 5.5 tt0 -102.1 150.27 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.3 p -161.42 169.86 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 37.5 mt-10 -134.61 151.41 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.4 m -123.26 -175.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' MET . 38.9 t -79.82 -42.18 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.2 mt-10 -99.52 172.47 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -105.15 168.01 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 35.68 42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.57 165.95 15.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -113.8 96.23 5.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.486 HG12 HG22 ' A' ' 83' ' ' THR . 3.0 m -88.83 156.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 31.5 mtpt -112.32 110.95 21.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CE3' HD22 ' A' ' 66' ' ' LEU . 72.8 m95 -85.92 132.33 34.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 39.7 m-85 -125.97 140.8 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 23.2 tttt -101.18 92.08 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 68.41 34.2 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.1 -28.83 14.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.2 144.91 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 35.7 tt0 -81.71 132.64 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -91.24 135.73 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -121.44 90.74 47.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.94 -166.96 29.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -29.53 23.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -119.6 42.7 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 m -126.68 143.54 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.2 -24.71 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CE2' ' NE ' ' A' ' 54' ' ' ARG . 83.4 m-85 -94.38 136.52 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 mtp180 -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.98 109.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -110.85 139.84 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.51 130.23 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -132.66 106.43 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.01 -110.24 3.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -114.98 14.91 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -132.3 136.18 46.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 65' ' ' ILE . 15.2 m-70 -103.1 159.8 15.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.63 107.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.901 HD22 ' CE3' ' A' ' 40' ' ' TRP . 40.7 tp -93.87 104.26 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.19 142.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 67' ' ' ILE . 62.1 mt -128.74 102.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.45 128.38 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.87 90.44 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 111.079 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.652 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.8 p -80.97 178.34 8.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 mptp? -58.25 -32.39 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.85 -29.85 68.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -65.04 89.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -143.98 171.71 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.85 100.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 81.5 m-85 -86.83 116.52 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -124.54 137.23 54.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.9 m -100.06 157.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 ttm -136.58 123.47 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 38' ' ' VAL . 80.3 p -115.57 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -58.07 -34.36 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -148.81 45.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.61 159.72 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -153.16 150.68 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -146.48 158.9 43.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -144.27 151.16 39.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.633 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -140.87 -177.63 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -133.81 112.77 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.1 tp -106.53 124.08 49.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -117.35 127.52 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.7 t -104.03 132.41 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.07 167.37 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HG ' ' CE ' ' A' ' 73' ' ' LYS . 22.7 mt -101.4 119.63 39.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 20' ' ' TYR . 39.8 tttp -86.65 105.08 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m -108.83 104.38 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -151.78 164.68 30.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.7 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.82 143.17 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -92.98 -48.54 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.485 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -95.24 139.81 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 62.33 42.4 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.48 170.91 12.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -93.49 120.86 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -119.52 90.23 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.3 -172.05 18.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 63.5 mt -116.59 128.62 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mmt -108.06 139.85 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.51 98.08 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -66.01 -48.88 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -104.52 103.94 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -71.84 160.53 32.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.707 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 81.8 mt -72.68 145.77 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -112.58 137.32 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.98 125.55 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -115.77 144.06 44.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -126.87 104.17 7.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.32 175.87 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -106.54 163.86 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.82 103.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.02 -22.47 16.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.92 165.53 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 67' ' ' ILE . 5.1 ttt85 -103.6 118.71 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 71' ' ' ALA . 53.3 t -93.46 140.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -133.43 103.06 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -93.95 110.21 21.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 15.3 tt0 -100.6 152.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 12.9 p -165.05 172.83 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -140.64 153.91 46.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLU . 24.1 m -125.89 179.32 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -79.49 -39.58 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.5 mt-10 -91.21 172.46 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 15.8 p30 -108.14 167.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 12.4 m-20 34.67 36.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -79.15 166.1 22.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -121.3 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 83' ' ' THR . 10.2 m -77.56 159.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 39.5 mtmt -115.09 110.99 20.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.665 ' CG ' HD12 ' A' ' 66' ' ' LEU . 56.9 m95 -86.34 133.48 33.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.5 m-85 -126.35 139.51 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -104.74 91.19 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.78 25.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.38 -35.01 4.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.27 148.21 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.2 141.96 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.9 mt -97.21 128.23 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.63 89.56 28.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.04 4.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.36 -173.41 41.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -0.15 6.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -132.64 -37.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.5 m -47.27 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -86.77 -45.37 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.95 151.69 31.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 22.9 mtp180 -140.75 115.64 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.43 112.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -107.49 144.09 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -113.09 122.3 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 24.4 mm-40 -131.41 113.92 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.89 -117.1 6.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -111.01 19.37 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.2 146.92 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' C ' HD12 ' A' ' 65' ' ' ILE . 23.5 m-70 -113.42 152.53 29.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.26 108.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.665 HD12 ' CG ' ' A' ' 40' ' ' TRP . 9.2 tt -95.41 111.15 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.79 142.49 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.848 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.1 mt -123.38 109.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.72 103.53 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 82.2 1.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.52 90.03 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.417 ' C ' HG11 ' A' ' 94' ' ' VAL . 76.9 p -82.95 170.77 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -48.87 -44.89 40.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.23 86.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -46.65 -31.19 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -59.9 96.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.93 170.5 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.71 100.8 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -87.61 114.41 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.1 m -123.44 139.91 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -100.98 164.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.8 ttm -144.42 124.0 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 38' ' ' VAL . 64.7 p -113.8 -174.92 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.0 p -61.35 -30.48 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.47 45.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.34 163.92 36.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -154.57 152.63 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -143.35 157.72 44.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 p -138.39 152.77 48.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -151.55 156.39 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -112.0 123.79 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 25' ' ' VAL . 21.8 tp -110.82 111.69 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m -101.48 119.94 39.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' A' ' 76' ' ' ALA . 97.3 t -104.47 121.37 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.56 167.14 11.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.92 117.94 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -55.88 143.7 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -80.46 123.51 28.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.36 -157.3 27.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 106.93 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 102' ' ' SER . 13.1 t -112.3 139.26 47.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' SER . 70.0 p -35.77 -42.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -120.81 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -50.22 -44.2 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.58 84.56 0.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -77.71 159.87 28.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -87.48 93.48 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.45 165.84 14.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 70.0 mt -97.71 126.31 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -106.83 134.44 49.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -77.72 101.65 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 p -67.83 -46.06 72.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.04 95.56 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -62.79 155.97 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 11.3 mt -62.17 147.88 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.11 132.86 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.74 126.91 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -116.99 141.09 48.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.2 m -120.56 103.33 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.66 175.28 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 3.8 m-85 -105.7 178.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.667 ' SG ' HD23 ' A' ' 96' ' ' LEU . 7.9 p -70.1 127.3 32.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.84 13.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 20' ' ' TYR . 19.1 mm-40 -61.38 172.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.54 124.66 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 92' ' ' LEU . 40.1 t -105.04 134.18 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.48 106.33 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 66' ' ' LEU . 60.4 mt -97.6 110.68 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -100.92 149.1 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 p -161.27 167.6 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -130.82 158.73 39.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.6 m -130.14 -177.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 t -80.87 -40.38 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.3 mm-40 -91.98 172.72 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 13.1 p-10 -107.62 157.77 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.2 t70 38.21 45.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.69 -179.79 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -128.84 89.62 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -81.01 153.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 62.4 mttt -109.01 112.94 25.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CE3' HD22 ' A' ' 66' ' ' LEU . 65.4 m95 -87.43 130.11 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 52.0 m-85 -126.31 130.12 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -81.95 99.0 8.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.616 ' C ' HD21 ' A' ' 43' ' ' ASN . 0.1 OUTLIER 50.96 26.08 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.58 -30.59 6.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.6 130.95 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.85 117.55 13.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -84.3 136.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 5.4 mp -122.19 94.59 47.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.956 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.4 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.39 -174.12 37.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -27.73 26.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.88 -21.69 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -56.46 172.84 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -29.19 12.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.69 135.14 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 2.2 mpt_? -123.86 122.84 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.956 HD12 ' HG3' ' A' ' 49' ' ' PRO . 26.4 mt -107.12 107.63 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -111.08 139.78 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.2 p -114.19 122.1 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -119.42 106.2 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.22 -106.49 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -117.31 18.43 14.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -136.03 139.5 43.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.456 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.1 m-70 -104.61 162.54 13.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.51 113.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.664 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.3 tp -98.5 107.1 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 1.049 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -97.04 148.66 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.049 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.9 mt -133.08 105.65 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 56' ' ' ARG . 30.8 mt-10 -77.08 102.34 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.93 71.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.82 95.16 5.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -86.76 169.95 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 72' ' ' THR . 20.5 mmtt -52.04 -50.93 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.01 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.7 m-20 -48.76 -34.45 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.729 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -50.27 89.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -144.57 168.46 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ASN . 34.2 tt0 -77.61 103.97 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 64.8 m-85 -86.39 115.12 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.5 m -121.32 139.27 53.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -101.09 163.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 ttm -141.1 130.67 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.535 HG22 HG12 ' A' ' 38' ' ' VAL . 72.1 p -123.52 -178.99 4.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.4 p -57.29 -31.42 65.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.13 46.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.16 161.14 33.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 88' ' ' SER . 37.6 tt0 -153.31 156.29 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.8 t -148.18 159.11 44.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -141.57 146.79 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -148.51 143.94 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.5 mtpm? -101.18 125.57 47.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 25' ' ' VAL . 33.7 tp -111.07 106.78 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -94.4 109.1 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' A' ' 76' ' ' ALA . 39.9 t -89.61 124.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' CYS . 9.9 t0 -106.92 165.98 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.667 HD23 ' SG ' ' A' ' 21' ' ' CYS . 12.3 mt -113.23 112.22 23.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -47.13 141.05 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.7 t -113.98 159.55 19.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.43 -160.23 15.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -1.5 8.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.4 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.25 138.6 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -64.2 87.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -50.47 112.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -46.07 -51.73 13.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.36 -131.53 4.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -133.4 131.35 39.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.56 113.97 27.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 171.3 34.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.5 mt -105.81 126.54 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.8 mmt -105.24 138.17 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.34 99.87 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 p -65.26 -45.63 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 42.5 tttp -109.44 94.38 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -67.11 154.35 41.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HG13 ' A' ' 81' ' ' VAL . 21.6 mt -62.62 157.77 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.8 134.66 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 139.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -140.07 138.51 35.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 m -121.31 108.69 14.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.96 175.95 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 45.3 m-85 -105.27 172.83 6.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.563 ' SG ' HD23 ' A' ' 96' ' ' LEU . 19.5 p -67.61 116.99 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -21.87 41.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 26.8 mt-10 -58.79 168.09 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 26.1 ttt180 -104.35 119.51 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 71' ' ' ALA . 26.3 t -95.04 138.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CD ' ' NH2' ' A' ' 24' ' ' ARG . 10.4 mt-10 -133.28 109.25 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 66' ' ' LEU . 54.1 mt -99.62 112.32 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 63' ' ' LYS . 5.4 tt0 -100.38 152.18 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -163.21 170.72 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 18.4 mt-10 -137.56 158.0 45.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 13.2 m -128.12 -176.09 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -85.05 -32.41 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.5 mm-40 -96.67 -179.85 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.19 153.49 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 38.91 44.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.42 -178.12 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.6 t30 -126.54 87.8 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -79.29 153.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -110.51 110.94 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.741 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.4 m95 -87.35 129.46 35.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -122.67 140.79 52.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -108.54 92.48 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.47 26.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -28.41 13.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.41 144.97 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -83.57 122.03 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.17 134.02 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.7 mm -122.48 90.24 49.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.706 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.73 -170.39 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.41 -167.83 32.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.05 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -131.5 45.42 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 m -122.57 161.89 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.76 -46.43 15.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -83.39 147.55 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 69' ' ' GLU . 17.4 mtt180 -137.17 108.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.706 HD12 ' HG3' ' A' ' 49' ' ' PRO . 19.2 mt -89.55 113.07 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -105.04 155.12 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 64' ' ' HIS . 95.3 t -125.9 114.15 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -123.2 102.33 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.45 -113.48 5.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -112.87 19.04 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -132.6 137.96 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.502 ' CE1' HG22 ' A' ' 59' ' ' VAL . 21.1 m-70 -105.75 155.48 19.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.8 110.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.741 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.4 tp -95.37 103.71 15.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.981 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.92 149.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.981 ' N ' HD13 ' A' ' 67' ' ' ILE . 34.0 mt -131.77 101.05 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' A' ' 56' ' ' ARG . 43.2 mt-10 -67.85 103.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.88 90.8 0.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.93 91.87 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -87.03 175.07 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -53.57 -38.84 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.99 -36.37 82.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.3 -28.8 65.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 92.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.92 169.79 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.41 105.42 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -87.1 112.87 22.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 m -123.6 135.15 53.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 14' ' ' LEU . 2.1 m -100.45 165.32 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.4 ttp -147.34 121.01 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 38' ' ' VAL . 81.5 p -113.75 -175.44 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.8 p -57.39 -33.8 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.01 45.81 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.14 159.78 33.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -153.09 150.1 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -143.47 161.87 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 p -146.39 146.42 30.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.57 144.19 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -97.8 128.96 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 25' ' ' VAL . 29.9 tp -114.38 108.57 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 112.88 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.55 120.62 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -108.68 148.23 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.563 HD23 ' SG ' ' A' ' 21' ' ' CYS . 17.2 mt -88.4 114.33 24.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 3.7 ttpm? -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.3 t -116.66 100.71 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.25 -158.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -25.7 28.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -43.18 134.6 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.6 t -74.21 122.86 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -67.4 129.39 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -42.13 147.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.83 168.86 28.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 m -79.37 171.91 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 m -63.12 92.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.88 167.89 53.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.428 HD13 ' HB1' ' A' ' 36' ' ' ALA . 93.9 mt -104.77 119.95 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.458 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 7.2 mmt -100.57 139.1 36.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.21 100.61 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -65.65 -39.59 91.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 48.5 tttp -118.26 100.61 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -62.76 154.16 30.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.963 HD11 HG13 ' A' ' 81' ' ' VAL . 31.8 mt -61.54 157.89 16.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -123.96 133.25 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.88 136.48 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 HG21 HG13 ' A' ' 25' ' ' VAL . 89.2 m -125.94 148.86 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -126.68 107.54 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -116.83 175.25 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 95' ' ' ASP . 31.0 m-85 -112.85 176.4 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -70.93 106.93 3.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.23 -3.13 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.97 164.58 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -104.71 119.87 40.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 68' ' ' ILE . 41.1 t -93.71 141.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -131.7 111.32 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -101.4 112.34 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -100.49 147.49 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.7 p -159.54 162.61 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.8 mt-10 -125.39 154.53 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.7 m -128.21 171.73 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.5 t -71.96 -35.12 69.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 31' ' ' VAL . 12.8 mt-10 -98.15 169.82 9.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -104.64 155.37 18.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 41.5 32.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -70.38 174.29 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -121.13 91.53 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.0 m -85.01 160.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 42.0 mtmt -116.6 115.23 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.9 m95 -89.25 131.55 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 42.8 m-85 -125.42 138.3 54.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.0 ttpt -103.55 91.36 4.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 7.4 t-20 71.62 34.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.46 -30.2 10.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.37 150.58 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -91.22 128.06 36.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.98 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.6 mm -124.69 94.86 43.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.9 Cg_endo -69.74 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.27 -167.72 28.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? 65.01 39.15 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -111.31 161.72 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -76.27 -45.79 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.43 137.59 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp85 -135.51 107.77 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.778 HD12 ' HG3' ' A' ' 49' ' ' PRO . 25.7 mt -90.17 112.65 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -108.02 148.76 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.84 115.98 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -122.18 107.77 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.32 -111.18 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -116.45 16.74 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -131.76 135.23 46.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.758 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.4 m-70 -97.24 165.97 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -149.75 111.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 40' ' ' TRP . 45.4 tp -97.0 105.21 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.675 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.73 140.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 67' ' ' ILE . 8.9 mt -122.25 121.31 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -88.89 104.71 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.48 79.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -81.17 104.95 12.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 94' ' ' VAL . 33.1 p -108.73 168.35 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -35.04 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.75 91.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.08 -21.0 64.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.85 90.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 43' ' ' ASN . . . -149.74 172.07 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -76.05 107.46 8.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 54.3 m-85 -86.27 112.32 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 m -120.83 133.77 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -99.73 157.3 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -134.46 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -123.65 175.41 6.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 p -63.12 -7.02 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' HE2' ' A' ' 9' ' ' MET . . . -170.26 42.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.55 158.29 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -152.46 145.26 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -138.46 162.91 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -143.73 150.57 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.04 159.73 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -110.05 139.4 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.477 HD21 HG21 ' A' ' 25' ' ' VAL . 29.4 tp -128.16 118.79 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -105.0 141.18 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 76' ' ' ALA . 36.4 t -118.49 121.45 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 3.7 t0 -110.32 167.66 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.0 mt -105.91 124.12 49.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -90.66 88.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 m -153.74 106.74 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.78 -171.0 39.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 176.08 7.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.8 p -130.2 115.29 16.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.4 p -53.15 163.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -160.9 168.02 25.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -87.98 60.42 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.71 119.97 20.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -81.66 88.03 6.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -71.19 146.54 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 174.89 36.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' OG1' ' A' ' 84' ' ' THR . 95.2 mt -115.18 130.67 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mmt -109.64 135.06 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 p -77.7 101.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 p -65.1 -51.94 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -95.05 98.37 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -63.14 157.9 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.017 HD11 HG13 ' A' ' 81' ' ' VAL . 37.3 mt -71.3 136.31 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -103.66 149.17 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 130.89 47.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -119.48 151.47 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.3 m -130.08 103.62 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.31 178.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' C ' ' OE1' ' A' ' 23' ' ' GLU . 56.3 m-85 -110.24 161.12 15.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.47 114.79 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.62 -35.23 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 20' ' ' TYR . 10.4 mp0 -56.43 164.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.96 126.69 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.642 ' HB ' HD12 ' A' ' 68' ' ' ILE . 63.9 t -95.95 133.42 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -130.06 110.75 11.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 mt -101.54 119.88 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 8.3 tt0 -101.4 145.42 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.97 163.01 39.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -128.74 156.04 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 33' ' ' GLU . 15.5 m -127.01 171.63 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -70.08 -33.34 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.5 mm-40 -102.82 174.49 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -107.0 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.6 t70 37.44 46.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 169.25 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -117.53 92.99 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -82.19 160.34 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.0 mppt? -117.66 111.81 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 66' ' ' LEU . 56.7 m95 -86.89 137.36 32.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 43.5 m-85 -129.11 137.81 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HZ1' ' HA ' ' A' ' 75' ' ' ASP . 4.9 tttp -100.35 99.58 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.582 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.8 m-20 63.85 29.53 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.94 8.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -75.02 146.63 41.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -81.89 131.55 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.1 mt -90.39 136.28 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -124.03 90.32 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.2 Cg_endo -69.75 177.56 5.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.297 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.84 -167.31 35.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -31.13 21.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.1 -39.71 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -48.44 161.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -87.48 -36.84 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 52.0 m-85 -82.46 147.47 28.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 15.5 mtt85 -142.17 110.55 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.593 HD12 ' HG3' ' A' ' 49' ' ' PRO . 29.9 mt -85.89 108.6 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -99.0 141.97 31.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.5 t -112.43 119.22 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.18 102.32 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.25 25.83 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.78 12.34 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.4 ptpp? -128.53 143.82 51.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.5 m-70 -105.35 163.15 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.485 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.75 112.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' CE3' ' A' ' 40' ' ' TRP . 38.3 tp -95.35 110.91 22.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.26 140.3 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 ' HB ' ' A' ' 25' ' ' VAL . 13.9 mt -124.7 101.94 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HG3' HD11 ' A' ' 67' ' ' ILE . 20.7 mt-10 -69.7 104.87 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.55 81.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.62 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.61 92.09 8.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -86.49 167.75 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 8.2 mmmm -51.5 -28.53 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.44 ' HA ' ' HZ1' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -55.15 -37.79 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -47.82 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.99 169.09 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.22 104.05 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 88.1 m-85 -89.25 111.62 22.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.7 m -119.91 134.83 55.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.017 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.03 162.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 ttp -146.35 106.06 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 38' ' ' VAL . 82.8 p -92.23 -179.05 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 49.7 p -48.72 -32.68 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.3 30.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.76 27.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.65 143.2 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -144.69 161.82 38.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 p -143.38 141.63 30.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . . . -137.22 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -123.08 122.85 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 25' ' ' VAL . 16.0 tp -107.45 132.68 52.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -119.29 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 76' ' ' ALA . 60.9 t -113.4 127.65 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -122.13 159.01 28.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.8 104.75 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 136.97 57.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -172.25 143.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.99 -152.44 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 87.65 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 60.74 38.43 18.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -93.91 -47.81 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' SER . 46.6 p -104.73 -27.87 11.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' SER . 28.4 m 34.94 52.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.59 145.4 18.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -105.02 38.3 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -46.42 -42.5 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.71 169.4 13.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.6 mt -106.84 130.24 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -108.9 135.52 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.6 99.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -65.35 -43.08 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -116.41 99.53 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.63 170.25 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 72.8 mt -77.45 150.24 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -116.34 138.03 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.1 121.94 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 92' ' ' LEU . 51.6 m -116.42 143.21 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -121.76 112.83 18.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.59 167.08 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 97' ' ' LYS . 74.9 m-85 -102.15 164.62 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.48 102.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.51 -16.37 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.5 166.84 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HE ' HD11 ' A' ' 67' ' ' ILE . 22.2 ttt180 -99.32 118.22 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 71' ' ' ALA . 17.9 t -93.36 134.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.97 105.08 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.741 HD12 HD23 ' A' ' 66' ' ' LEU . 37.4 mt -100.21 114.98 28.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -102.13 152.17 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.7 p -161.02 160.89 31.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.3 150.47 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 33' ' ' GLU . 14.1 m -124.46 -176.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -82.63 -41.9 18.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.5 mm-40 -91.74 171.76 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -105.27 163.16 12.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.7 t0 34.76 39.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.47 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -132.1 89.97 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 83' ' ' THR . 6.3 m -83.6 158.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.7 mttm -115.03 110.85 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.5 m95 -85.04 127.68 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.8 m-85 -122.61 139.22 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -103.05 99.82 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.551 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 29.0 m-20 63.7 25.91 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.96 -30.95 7.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.58 149.88 38.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -89.49 131.75 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.05 140.63 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.22 90.41 50.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.76 -175.2 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.13 -170.5 30.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -27.82 26.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -117.77 50.57 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.6 m -137.92 172.63 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -96.4 -41.13 8.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -82.6 139.37 33.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 3.0 mtp180 -134.78 104.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 49' ' ' PRO . 18.5 mt -82.95 124.97 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -124.42 134.41 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 64' ' ' HIS . 71.0 t -106.2 110.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.22 97.81 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.05 -104.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -111.95 7.93 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 136.59 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 59' ' ' VAL . 8.3 m170 -103.27 163.83 12.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -143.77 108.6 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.741 HD23 HD12 ' A' ' 27' ' ' LEU . 16.2 tp -89.19 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' HE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.09 129.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.5 mt -121.47 102.87 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.0 129.39 37.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.45 76.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.644 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.46 110.67 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASP . 22.0 p -104.99 163.49 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -40.04 -40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.22 94.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.9 m-20 -55.72 -32.2 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.013 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.65 90.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -147.17 170.67 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -77.29 99.92 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -86.66 113.22 22.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -116.84 135.87 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -100.69 158.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -137.27 129.13 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.8 HG22 HG12 ' A' ' 38' ' ' VAL . 61.4 p -121.13 -177.97 3.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 p -55.49 -36.21 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -149.1 48.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.51 162.17 32.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -154.42 149.1 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -136.42 161.96 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.6 p -149.35 146.42 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -144.61 173.78 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -127.01 113.38 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 17' ' ' THR . 28.8 tp -102.98 124.83 49.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -112.44 132.25 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 1.013 HG23 ' HB2' ' A' ' 76' ' ' ALA . 86.0 t -110.94 124.05 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.58 167.3 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.46 109.17 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 22.6 tptp -68.54 140.1 55.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -170.93 124.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.02 -157.87 7.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 2.81 3.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -97.64 111.56 23.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.3 t -104.25 154.39 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -53.46 176.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -72.0 111.69 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.73 -81.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -162.3 177.38 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -104.96 116.41 31.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.38 35.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.4 mt -101.28 133.84 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.0 mmt -107.49 139.0 42.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.67 99.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -65.5 -37.06 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.5 tttp -118.91 119.8 35.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.93 148.08 24.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 23.0 mt -56.22 144.55 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.28 135.54 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 1.4 t0 -44.17 129.43 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.471 HG21 HG13 ' A' ' 25' ' ' VAL . 90.8 m -121.34 138.14 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -121.51 102.85 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.31 173.25 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 93.3 m-85 -105.56 156.49 18.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.5 t -55.02 105.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.89 -21.38 20.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.7 172.76 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -106.87 121.69 44.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 92' ' ' LEU . 68.2 t -93.34 144.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -133.56 104.09 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 66' ' ' LEU . 44.5 mt -95.22 110.78 22.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 27.1 tt0 -100.31 154.52 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 31.3 p -167.59 173.68 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.5 mt-10 -140.34 160.09 40.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.1 m -130.24 -178.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 t -81.81 -38.54 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 34.7 mt-10 -94.4 175.11 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.8 p30 -108.68 165.66 11.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.2 m-20 34.48 38.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.54 173.01 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.8 96.15 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.694 HG12 HG22 ' A' ' 83' ' ' THR . 5.4 m -83.9 155.04 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.7 mppt? -110.81 111.02 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CE3' HD22 ' A' ' 66' ' ' LEU . 78.5 m95 -84.83 132.96 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 47.2 m-85 -128.73 135.3 49.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 42.9 tttt -96.7 99.39 10.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.56 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.89 26.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.63 -33.75 5.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.0 148.17 40.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.93 138.86 33.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.7 134.86 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mm -117.52 92.78 41.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.92 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.81 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.21 -168.96 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -45.73 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -96.89 30.21 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 54' ' ' ARG . 1.4 t -109.54 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' OG ' ' A' ' 53' ' ' SER . 1.5 mpp_? -102.66 -29.67 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -95.53 151.73 19.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 mtp85 -139.22 107.68 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' HG3' ' A' ' 49' ' ' PRO . 14.3 mt -92.62 110.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 19.6 ttm180 -106.07 147.68 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 95.6 t -116.0 119.04 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 35.7 mm-40 -128.69 112.26 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.34 -115.83 7.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -114.13 16.49 18.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -128.3 146.99 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 16.8 m-70 -112.83 152.87 28.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -139.89 107.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 27' ' ' LEU . 18.3 tp -93.29 106.35 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -95.08 133.3 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.745 ' N ' HD13 ' A' ' 67' ' ' ILE . 18.3 mt -115.23 114.62 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.54 105.17 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.49 77.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.06 91.25 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 94' ' ' VAL . 8.3 p -81.25 172.19 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -51.53 -46.28 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.77 84.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -43.54 -38.82 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -49.15 96.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.58 165.9 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -76.93 103.54 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 88.0 m-85 -86.63 111.65 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -117.26 135.81 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.489 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.9 m -99.62 165.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 ttm -146.5 113.92 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.694 HG22 HG12 ' A' ' 38' ' ' VAL . 61.5 p -103.31 -179.3 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.4 p -55.44 -30.49 60.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.25 43.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.83 163.86 37.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -154.43 150.0 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 81' ' ' VAL . 13.4 t -144.86 160.75 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -146.15 147.69 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -143.91 161.17 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -112.88 122.7 48.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 25' ' ' VAL . 21.6 tp -112.76 118.98 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t -110.38 129.72 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 76' ' ' ALA . 64.1 t -107.17 119.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -110.65 147.44 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.32 105.79 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.485 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 58.6 tttm -83.47 -62.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -135.85 173.59 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -150.55 -90.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.21 35.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 m -66.17 98.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.4 p -44.53 159.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.527 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -85.9 100.74 12.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -94.13 101.13 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.79 106.37 0.45 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -44.71 132.02 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -127.8 150.91 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.5 172.57 18.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -112.4 134.38 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.0 mmt -107.18 151.38 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.7 t -89.71 99.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p -66.02 -48.94 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 78.7 tttt -107.26 97.85 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -68.4 156.46 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 21.6 mt -64.82 152.84 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.8 130.52 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.87 134.86 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -130.68 143.32 50.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.6 m -121.39 105.76 10.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.27 -178.44 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' C ' HG13 ' A' ' 94' ' ' VAL . 68.2 m-85 -111.63 159.85 17.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.97 114.95 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.22 -27.65 19.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.6 167.0 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -93.88 125.94 38.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 71' ' ' ALA . 61.4 t -103.76 129.75 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.49 114.97 15.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.87 117.51 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 9.3 tt0 -99.45 150.72 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -163.12 161.89 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 11.6 mt-10 -126.91 162.21 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -129.39 -176.78 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.61 -22.07 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.6 mp0 -123.66 158.03 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 1.7 p30 -92.36 178.38 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.6 m-20 34.94 39.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.93 155.12 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -111.61 98.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 HG22 ' A' ' 83' ' ' THR . 2.9 m -85.77 157.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 10.3 mmtm -112.92 114.04 26.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 66' ' ' LEU . 74.5 m95 -90.11 135.87 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 56.0 m-85 -127.67 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -101.06 94.73 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.95 30.22 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.56 -27.18 12.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.16 153.53 31.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -86.71 131.14 34.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.3 138.1 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.9 mp -124.2 90.15 51.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.1 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.75 -167.97 33.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -94.66 -38.68 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -49.12 161.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -89.87 -37.31 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -133.53 108.71 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 49' ' ' PRO . 21.3 mt -88.87 109.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -104.0 150.53 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 64' ' ' HIS . 93.3 t -118.75 118.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.45 101.23 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.99 -111.19 3.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -113.46 12.98 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -127.82 143.99 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' HG22 ' A' ' 59' ' ' VAL . 25.3 m-70 -108.45 159.6 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.9 mp -141.27 113.58 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.5 tp -96.61 98.77 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -88.98 140.25 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.713 HG21 ' OD2' ' A' ' 75' ' ' ASP . 31.5 mt -123.68 102.81 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.55 109.46 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 76.71 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.95 91.02 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.13 163.65 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -39.91 -38.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.01 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.713 ' OD2' HG21 ' A' ' 68' ' ' ILE . 6.7 t0 -41.12 -32.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.845 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.63 93.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.75 170.25 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.53 100.54 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -87.03 113.5 22.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.5 m -123.56 135.03 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.548 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -99.55 168.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ttm -146.99 120.38 9.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.549 HG22 HG12 ' A' ' 38' ' ' VAL . 36.8 p -108.63 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.7 p -56.76 -34.35 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.43 40.68 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.8 164.92 35.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.402 ' HG2' ' N ' ' A' ' 88' ' ' SER . 30.2 tt0 -154.75 155.52 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 23.2 t -148.21 158.23 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -138.91 149.76 45.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.98 146.44 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -105.58 125.1 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 25' ' ' VAL . 13.3 tp -114.32 130.51 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -121.44 128.77 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.845 HG23 ' HB2' ' A' ' 76' ' ' ALA . 47.1 t -108.69 132.63 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -128.56 158.2 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.9 mt -90.94 106.97 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.14 165.52 15.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -75.72 67.46 2.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.28 83.61 0.49 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -2.2 9.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.5 m -42.48 159.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.0 p -40.48 -46.19 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' GLY . 98.2 mt -109.12 141.83 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -119.88 132.2 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.07 99.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 p -63.94 -45.85 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -109.65 113.73 26.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.07 145.53 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 30.9 mt -54.28 152.08 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -122.91 139.55 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.19 130.18 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 92' ' ' LEU . 96.6 m -123.76 131.87 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 m -117.55 105.01 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.79 168.86 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -94.44 176.21 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.83 128.92 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.57 -14.14 31.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.52 168.33 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HG3' HD11 ' A' ' 67' ' ' ILE . 32.8 ttt180 -99.97 119.76 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 92' ' ' LEU . 90.4 t -95.44 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.58 117.2 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 66' ' ' LEU . 22.8 mt -107.36 109.69 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.96 150.95 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.97 165.48 27.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -130.79 150.74 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -125.02 -177.23 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -84.86 -35.93 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 33.0 mt-10 -95.72 164.5 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -99.35 163.09 12.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . 25.0 t70 34.49 39.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.62 177.3 7.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -129.77 87.11 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 83' ' ' THR . 5.3 m -77.55 160.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 44.2 mttt -114.68 112.42 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.793 ' CE3' HD22 ' A' ' 66' ' ' LEU . 69.7 m95 -87.68 127.64 35.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.8 m-85 -123.52 135.16 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.58 102.38 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.444 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.78 30.98 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.11 29.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -77.15 147.99 36.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 23.6 tt0 -87.4 128.41 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.5 mt -83.99 142.22 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -133.08 89.61 33.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.77 -165.21 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.27 139.18 32.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.459 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.9 mtp180 -130.78 106.65 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.581 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -84.11 121.61 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -116.04 139.31 50.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.16 122.32 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -128.43 100.98 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -106.03 1.03 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -117.96 24.3 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -137.53 139.79 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.557 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.6 m-70 -108.01 156.57 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.557 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -140.11 108.0 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.9 tp -94.63 101.15 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.863 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.27 147.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.863 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.0 mt -126.08 113.73 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.85 108.76 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.85 86.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.37 96.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -93.36 174.82 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.596 ' H ' HG22 ' A' ' 72' ' ' THR . 13.6 mmtp -54.62 -14.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.93 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.9 -31.11 64.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 1.067 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.94 94.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -148.75 171.6 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.29 100.36 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.64 115.85 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -121.39 135.46 55.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.1 155.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 ttm -138.28 123.3 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 38' ' ' VAL . 57.8 p -112.57 -174.95 2.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -63.15 -21.79 66.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -158.44 42.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.71 161.86 35.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -154.71 147.71 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.426 ' HB3' HG22 ' A' ' 81' ' ' VAL . 21.8 t -143.42 162.29 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.01 148.79 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -146.14 167.42 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -119.63 119.98 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 25' ' ' VAL . 36.6 tp -109.4 109.37 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -102.55 125.88 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.067 HG23 ' HB2' ' A' ' 76' ' ' ALA . 83.1 t -100.4 130.64 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 90.9 mt -111.92 125.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.1 mmt -104.23 136.2 44.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.405 ' HB ' ' NE2' ' A' ' 13' ' ' GLN . 71.3 t -78.64 100.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -65.91 -41.19 91.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 72.2 tttt -116.22 96.66 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 32.8 mm-40 -63.15 160.8 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.686 HD11 HG13 ' A' ' 81' ' ' VAL . 57.5 mt -70.59 151.9 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -120.72 141.5 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.01 142.07 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 92' ' ' LEU . 88.8 m -139.52 141.03 37.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -122.85 107.31 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -115.51 164.07 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -66.5 105.62 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.71 -10.26 32.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.79 166.84 21.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.445 ' NE ' HG13 ' A' ' 67' ' ' ILE . 15.5 ttt180 -96.56 118.28 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 71' ' ' ALA . 58.0 t -94.75 138.0 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.15 116.19 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.25 109.55 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -98.05 150.04 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 p -162.32 165.05 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 21.8 mt-10 -132.66 155.82 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.8 m -128.18 -177.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -79.5 -42.03 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.39 -176.16 5.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 25.1 p30 -115.46 153.2 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 34.78 41.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.87 174.32 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -114.3 93.22 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -87.52 154.04 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -112.0 114.47 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.621 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.6 m95 -88.1 138.81 31.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 44.7 m-85 -133.34 137.13 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 16.9 tttt -102.56 98.2 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 68.79 31.35 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.89 -27.09 22.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.51 148.55 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 28.1 tt0 -84.8 136.08 33.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.2 mt -95.44 145.72 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.51 93.54 21.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.694 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.1 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 8.7 mpt_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.346 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -86.23 136.06 33.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 67' ' ' ILE . 12.4 mtm180 -130.38 109.59 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.694 HD12 ' HG3' ' A' ' 49' ' ' PRO . 62.6 mt -87.97 139.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.73 138.52 45.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.01 122.01 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -132.71 103.51 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.77 -113.66 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -115.17 23.56 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -138.51 136.99 36.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.442 ' C ' HD12 ' A' ' 65' ' ' ILE . 22.4 m-70 -101.25 159.66 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.46 107.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' CE3' ' A' ' 40' ' ' TRP . 41.3 tp -94.27 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.475 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.89 133.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -113.06 110.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.77 113.4 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.2 81.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.88 92.34 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 p -74.71 172.12 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -57.83 -37.29 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.23 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 77' ' ' ALA . 11.4 m-20 -51.11 -38.94 54.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -45.26 92.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -147.52 171.71 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -78.73 100.66 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 60.0 m-85 -86.69 112.79 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.2 m -121.1 141.3 50.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 14' ' ' LEU . 1.6 m -102.81 162.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -141.96 127.15 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.532 HG22 HG12 ' A' ' 38' ' ' VAL . 72.3 p -118.78 -175.59 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.9 p -61.31 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.98 38.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.98 159.6 31.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -154.9 145.43 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -144.78 151.04 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -138.83 145.27 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -138.32 171.23 14.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -120.08 127.84 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 tp -118.43 123.59 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -115.52 111.8 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG23 ' HB2' ' A' ' 76' ' ' ALA . 80.1 t -93.79 117.62 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 91.7 mt -116.9 127.67 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mmt -104.76 139.81 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.48 100.95 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -65.62 -48.63 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -107.33 94.51 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -64.8 155.77 32.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 22.9 mt -63.51 146.8 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.4 139.05 51.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.8 135.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -129.49 141.24 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 m -122.57 106.83 11.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.03 178.13 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -105.66 161.2 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.45 107.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.56 -22.2 31.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.13 167.9 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 26' ' ' GLU . 23.6 ttt180 -98.29 120.69 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 92' ' ' LEU . 41.2 t -96.06 135.86 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 26.8 mt-10 -131.69 108.5 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 66' ' ' LEU . 33.6 mt -99.11 112.74 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 5.6 tt0 -100.77 146.68 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 p -158.08 156.43 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -121.56 154.25 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.5 m -126.38 -179.76 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.7 t -87.44 -2.07 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.5 mm-40 -128.36 170.39 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' ASP . 7.2 p-10 -108.63 161.66 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 73.7 m-20 35.52 40.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.87 175.91 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -126.54 88.69 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.5 m -80.85 160.06 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.9 mmtt -117.04 115.02 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 66' ' ' LEU . 60.3 m95 -90.65 132.07 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 57.0 m-85 -125.95 135.63 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.1 tttp -101.31 99.57 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 63.78 30.58 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -20.18 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.31 144.84 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.65 127.36 33.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.84 132.06 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.6 mm -118.38 90.97 40.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.53 5.52 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.802 0.334 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -83.67 139.83 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 9.5 mtp85 -135.86 105.25 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' A' ' 40' ' ' TRP . 51.7 mt -86.6 109.9 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -107.32 139.07 42.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.3 p -114.99 121.74 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -124.36 110.95 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.93 -106.18 1.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -119.97 20.17 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 8.0 ptpp? -133.73 142.91 48.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CE1' HG13 ' A' ' 38' ' ' VAL . 24.1 m-70 -108.17 151.12 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.06 122.17 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' CE3' ' A' ' 40' ' ' TRP . 30.9 tp -105.7 101.06 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.947 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -89.84 146.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.947 ' N ' HD13 ' A' ' 67' ' ' ILE . 20.8 mt -132.25 104.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.21 105.91 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.59 87.04 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.15 92.26 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' HG21 ' A' ' 94' ' ' VAL . 18.2 p -84.23 177.98 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -55.03 -34.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.18 68.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -59.22 -28.64 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.83 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.81 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.76 103.85 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 85.2 m-85 -89.91 111.47 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -115.88 137.85 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 14' ' ' LEU . 3.0 m -102.39 160.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.4 ttp -142.49 113.1 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.554 HG22 HG12 ' A' ' 38' ' ' VAL . 82.0 p -101.82 -176.18 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.2 p -60.63 -24.38 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -156.54 44.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.72 163.42 36.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -154.7 146.73 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -140.68 162.81 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -147.84 142.13 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.637 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.29 160.58 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -114.5 118.92 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 25' ' ' VAL . 46.3 tp -108.93 119.84 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -111.28 138.39 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 76' ' ' ALA . 90.8 t -114.64 131.06 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 86.3 mt -115.04 119.92 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.12 141.92 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.04 99.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 p -64.37 -49.29 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -101.31 102.86 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -75.46 156.55 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.66 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 20.1 mt -67.69 152.52 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -122.85 141.34 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.31 127.29 14.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD12 ' A' ' 92' ' ' LEU . 54.1 m -121.57 138.87 54.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 m -117.64 105.48 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.05 168.92 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -94.39 174.37 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.71 119.84 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.22 -21.08 48.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.47 167.3 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -101.05 122.72 44.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG21 HD21 ' A' ' 92' ' ' LEU . 40.7 t -96.31 137.95 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.03 109.65 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.5 HD12 HD23 ' A' ' 66' ' ' LEU . 43.9 mt -101.25 111.76 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -100.82 150.23 23.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -160.79 170.71 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -134.78 164.97 26.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -132.48 -178.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -77.99 -33.35 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 mm-40 -103.1 -175.24 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -117.75 164.0 15.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 t0 38.37 49.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.26 178.66 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -129.49 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -80.83 155.77 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 55.1 mttp -111.53 111.12 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 66' ' ' LEU . 48.8 m95 -88.1 130.35 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 38.4 m-85 -125.85 138.18 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -104.98 100.77 10.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.786 HD21 ' HB1' ' A' ' 77' ' ' ALA . 19.8 m120 67.13 30.92 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 -24.69 31.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.63 151.12 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.52 129.21 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -82.79 135.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.76 90.1 45.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -176.53 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -104.84 146.69 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 28.0 mtp180 -136.59 108.27 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.26 120.82 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -123.77 141.51 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.11 127.16 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -130.34 113.44 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.56 -107.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -120.14 19.13 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -135.69 136.67 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 21.9 m-70 -102.71 163.52 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.3 mp -146.18 116.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 40' ' ' TRP . 37.5 tp -102.66 105.7 16.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -95.61 141.13 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 67' ' ' ILE . 11.0 mt -125.24 104.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.79 103.34 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.57 83.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -89.84 90.61 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.83 160.72 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.72 -47.59 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.1 86.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -40.17 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -51.89 95.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.2 170.46 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.39 100.07 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -86.79 111.43 20.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m -114.54 136.62 52.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -99.51 166.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -151.07 113.91 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.606 HG22 HG12 ' A' ' 38' ' ' VAL . 63.5 p -104.58 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.1 p -50.09 -36.24 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.06 41.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.14 160.28 30.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.07 140.65 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -141.31 162.16 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -147.27 144.16 28.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -139.43 155.47 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -106.57 121.45 44.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 17' ' ' THR . 21.7 tp -114.29 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -111.6 124.68 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.4 t -102.82 123.77 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 77.2 mt -115.68 123.96 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 mmt -106.32 138.76 41.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.94 101.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -65.8 -43.27 89.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -112.33 101.11 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -69.63 147.89 50.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 20.8 mt -58.65 156.55 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.88 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.25 129.29 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 m -119.87 147.49 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.57 HG23 ' OG ' ' A' ' 93' ' ' SER . 78.5 m -124.08 105.31 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -110.92 -178.39 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -116.58 158.56 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 11.4 t -57.16 108.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.35 -20.12 38.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.65 163.5 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.1 ttm180 -97.68 126.4 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 HD21 ' A' ' 92' ' ' LEU . 39.9 t -98.97 132.21 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -122.98 106.78 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 66' ' ' LEU . 41.5 mt -98.27 111.23 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.98 151.24 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.9 p -163.2 165.19 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -129.86 158.09 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.8 m -129.54 178.71 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -77.16 -40.2 46.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.3 mm-40 -93.76 172.9 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -106.77 162.13 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 35.14 41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.26 -179.31 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.91 91.53 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 83' ' ' THR . 5.0 m -81.91 153.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -110.77 114.27 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.8 m95 -89.02 139.57 30.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 41.6 m-85 -133.62 137.47 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -103.62 103.76 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.464 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 28.7 m-20 63.47 26.0 14.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.0 -29.81 9.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.57 152.02 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.18 141.35 30.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.01 138.26 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -124.69 89.94 51.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.81 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -173.44 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.331 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -82.3 141.7 32.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 25.3 mtp85 -137.28 109.63 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.81 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.5 mt -89.8 109.2 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -103.24 150.95 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.8 118.51 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -126.69 98.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.57 -116.26 8.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -109.7 19.36 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.64 137.01 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' C ' HD12 ' A' ' 65' ' ' ILE . 20.5 m-70 -102.22 160.34 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.76 111.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 40' ' ' TRP . 50.8 tp -95.62 104.27 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.13 135.42 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 25' ' ' VAL . 14.4 mt -118.04 115.38 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.56 107.43 15.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.6 73.88 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -80.46 91.83 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -90.23 170.52 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.54 ' H ' HG22 ' A' ' 72' ' ' THR . 1.7 mptp? -46.38 -34.68 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.34 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.64 -27.85 59.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.98 89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -149.05 170.47 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -80.1 102.93 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -86.61 112.41 21.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.5 m -122.34 138.7 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.658 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -101.17 170.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.6 tmm? -150.6 123.07 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.645 HG22 HG12 ' A' ' 38' ' ' VAL . 69.0 p -115.93 -177.43 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -28.79 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -154.15 46.78 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.89 158.59 30.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -154.44 137.0 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -131.09 158.31 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p -142.66 146.9 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -108.87 138.08 45.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 25' ' ' VAL . 32.4 tp -119.55 135.05 54.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.57 ' OG ' HG23 ' A' ' 18' ' ' THR . 4.0 p -121.58 140.38 52.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 21' ' ' CYS . 39.2 t -126.28 117.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.446 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 92.7 mt -120.16 130.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.18 144.74 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -87.06 103.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -66.89 -44.44 80.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -112.35 112.65 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.98 151.49 24.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.702 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 7.7 mt -62.43 147.96 47.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -116.86 136.92 52.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 129.39 6.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 149.08 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -130.54 108.5 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.04 -179.02 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -106.05 167.13 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.9 p -69.83 108.23 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.07 -6.18 39.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.88 169.96 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -102.73 122.17 43.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 92' ' ' LEU . 45.8 t -93.93 139.24 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -132.04 116.11 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 mt -106.62 114.66 28.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -100.69 151.61 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.63 163.94 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -131.51 154.17 49.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -123.24 -175.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 p -85.89 -16.4 38.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.0 mm-40 -113.78 -177.74 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.04 156.6 27.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 37.57 37.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.76 -176.13 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.62 92.23 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -83.93 157.79 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' MET . 26.9 mttm -117.27 116.45 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CE3' HD22 ' A' ' 66' ' ' LEU . 43.0 m95 -91.75 139.59 30.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 31.8 m-85 -134.74 131.83 38.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -101.36 107.99 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.665 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 35.6 m120 63.83 27.28 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.95 -24.64 30.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -81.5 142.48 32.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.74 139.84 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.3 mt -93.19 145.91 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -133.25 89.59 32.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.77 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.8 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -80.99 136.48 36.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 30.3 mtp180 -133.35 108.52 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.77 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -89.38 120.13 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -116.36 140.08 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.55 119.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -125.77 100.32 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.37 -116.36 7.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -109.68 16.3 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -134.72 132.81 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' HG13 ' A' ' 38' ' ' VAL . 15.2 m-70 -97.48 165.95 11.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -147.01 116.62 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.0 tp -101.45 111.13 23.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.93 138.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 67' ' ' ILE . 19.3 mt -121.59 104.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.53 107.77 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.56 91.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.631 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.94 99.38 12.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 p -94.84 178.53 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -49.89 -45.42 50.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.28 91.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.17 -31.01 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -67.91 91.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.665 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -145.17 171.51 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -78.47 102.03 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.46 113.9 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -121.42 136.71 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.8 169.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LYS . 7.2 tmm? -150.77 110.67 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.573 HG22 HG12 ' A' ' 38' ' ' VAL . 48.8 p -97.02 -176.35 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.4 p -65.73 -7.2 14.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -169.55 33.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.61 164.41 33.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -154.72 139.3 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -137.1 159.79 40.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 p -141.18 149.94 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -153.36 140.56 19.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -99.07 124.39 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.685 HD21 HG21 ' A' ' 25' ' ' VAL . 22.1 tp -111.71 114.66 27.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -102.52 130.29 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 76' ' ' ALA . 29.5 t -109.59 131.77 59.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 79.4 mt -95.01 121.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mmt -99.64 139.64 35.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.42 99.02 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -64.42 -47.79 77.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -105.77 98.09 7.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.28 155.82 36.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD11 HG13 ' A' ' 81' ' ' VAL . 42.5 mt -64.87 149.49 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -121.16 139.72 52.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 1.3 t0 -46.37 129.88 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 92' ' ' LEU . 24.2 m -124.35 128.25 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.4 m -111.34 104.73 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.66 -179.66 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -107.78 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -73.81 116.04 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.15 -28.28 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.62 167.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.811 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.6 ttm180 -99.91 127.83 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 71' ' ' ALA . 40.4 t -100.46 141.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -133.78 105.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.748 HD12 HD23 ' A' ' 66' ' ' LEU . 47.3 mt -94.63 110.5 22.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 8.8 tt0 -100.6 147.59 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.8 p -159.83 165.53 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.17 156.48 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.7 m -126.11 -178.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -81.37 -33.06 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.2 mm-40 -99.85 179.02 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.7 p30 -112.4 164.2 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.4 m-20 34.98 46.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.36 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -129.17 88.62 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -77.31 161.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.4 mtmt -118.68 111.73 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 66' ' ' LEU . 52.6 m95 -86.64 133.86 33.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 34.7 m-85 -128.0 135.21 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 17.3 tttt -103.32 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.603 HD21 ' HB1' ' A' ' 77' ' ' ALA . 7.0 m120 68.6 29.08 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.55 -24.67 30.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -81.58 142.84 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -83.13 127.3 33.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.37 137.47 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -121.58 90.34 47.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -94.33 138.42 32.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -138.98 105.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 49' ' ' PRO . 43.2 mt -81.04 117.14 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -122.53 136.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -113.39 133.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -131.73 108.57 9.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.17 -104.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -120.56 20.16 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -137.67 136.17 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CE1' HG13 ' A' ' 38' ' ' VAL . 20.2 m-70 -101.22 159.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -142.31 110.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.748 HD23 HD12 ' A' ' 27' ' ' LEU . 40.9 tp -95.37 103.91 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -92.05 146.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.094 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.0 mt -131.38 102.89 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.57 108.32 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.59 82.64 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.7 93.28 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -94.73 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' THR . 3.2 mptp? -34.19 -51.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.64 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.554 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -44.41 -41.08 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.835 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -48.07 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.51 165.22 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.91 100.75 8.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 72.5 m-85 -86.55 111.78 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -118.48 136.18 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.564 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.5 163.7 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -144.05 120.14 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.597 HG22 HG12 ' A' ' 38' ' ' VAL . 76.1 p -113.34 176.14 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.8 p -47.54 -35.67 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.92 45.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.18 158.3 30.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -154.75 141.01 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -145.11 161.7 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.4 t -147.45 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -142.51 178.15 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -125.41 122.03 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 25' ' ' VAL . 12.0 tp -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -94.63 130.18 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' A' ' 76' ' ' ALA . 11.7 t -112.15 130.7 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.777 HD13 ' HB1' ' A' ' 36' ' ' ALA . 92.5 mt -113.03 133.03 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.5 mmt -110.49 133.81 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.67 98.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -61.66 -38.92 89.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 13.5 ttmm -118.1 110.71 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -78.56 152.79 31.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.745 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 26.1 mt -57.01 154.86 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 58.3 mt-10 -123.89 124.87 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -34.43 137.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -131.14 147.96 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 m -128.94 104.89 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.92 173.02 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -108.58 159.54 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 t -54.4 108.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.91 8.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.1 169.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NE ' HG13 ' A' ' 67' ' ' ILE . 39.1 ttt180 -102.96 123.41 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.747 HG23 ' HB2' ' A' ' 71' ' ' ALA . 47.2 t -94.66 137.68 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -133.84 103.9 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.51 109.22 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -95.89 158.99 15.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.9 p -167.01 168.25 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 23.5 mt-10 -133.17 154.6 50.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.5 m -126.45 -176.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.7 p -76.5 -36.11 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.1 pt-20 -116.26 177.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.29 162.69 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.5 m-20 35.43 37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.777 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -68.38 105.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -52.83 87.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 36' ' ' ALA . 5.9 m -88.11 163.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.1 mmtt -120.57 115.11 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CG ' HD12 ' A' ' 66' ' ' LEU . 65.8 m95 -92.0 128.04 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 71.9 m-85 -121.09 141.1 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.4 tttt -105.28 93.44 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 69.39 30.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 -29.54 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.28 150.78 33.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.55 134.47 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.25 141.98 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 mm -130.34 89.86 43.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.849 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 47.1 m-85 -79.72 144.19 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 67' ' ' ILE . 31.2 mtp180 -141.37 113.66 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.9 mt -92.93 132.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 49.3 ttm-85 -117.71 154.56 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 35' ' ' ASP . 84.6 t -125.28 125.43 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.4 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -114.04 21.07 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' HD11 ' A' ' 65' ' ' ILE . 2.4 ptpt -135.62 145.67 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.527 ' C ' HD12 ' A' ' 65' ' ' ILE . 19.5 m-70 -115.28 160.34 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -147.95 113.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.633 HD12 ' CG ' ' A' ' 40' ' ' TRP . 8.8 tt -96.18 112.97 24.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.869 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -98.2 143.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.869 ' N ' HD13 ' A' ' 67' ' ' ILE . 23.9 mt -127.64 104.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -71.77 108.31 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.2 80.54 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.747 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -85.55 88.8 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.409 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -84.26 161.61 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' THR . 34.4 mmtt -37.21 -58.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.82 -47.7 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 72' ' ' THR . 1.1 m-20 -41.48 -36.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.41 93.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.05 171.19 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.4 101.75 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 57.0 m-85 -87.51 114.36 24.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.9 m -126.23 142.89 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -105.26 166.56 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttm -147.11 135.77 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.541 HG22 HG12 ' A' ' 38' ' ' VAL . 46.5 p -126.35 177.89 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -53.69 -18.0 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -165.31 46.64 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.06 161.0 34.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -154.55 141.12 18.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.49 ' HB3' HG22 ' A' ' 81' ' ' VAL . 25.5 t -135.03 153.82 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 p -135.65 150.41 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.745 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -153.61 146.13 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -99.54 138.55 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 25' ' ' VAL . 23.7 tp -125.0 109.14 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -99.4 116.65 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.03 113.34 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 36' ' ' ALA . 80.2 mt -118.35 129.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -109.14 141.65 41.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 HE21 ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.29 98.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 p -63.26 -49.29 74.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.9 tttp -98.63 102.83 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.476 HE21 HG13 ' A' ' 10' ' ' VAL . 36.2 mm-40 -73.18 162.66 29.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD11 HG13 ' A' ' 81' ' ' VAL . 55.5 mt -68.79 155.8 39.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -124.15 139.24 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 134.56 18.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' LEU . 92.6 m -130.47 141.95 50.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -123.1 104.13 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -107.7 177.26 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 38.4 m-85 -109.42 173.22 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.4 111.88 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.93 -18.25 52.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 57.8 mt-10 -69.48 164.9 22.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 122.51 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.9 t -94.51 140.22 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -132.83 111.41 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 mt -103.17 116.38 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.73 150.33 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.5 p -161.07 175.77 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 40.4 mt-10 -137.94 162.83 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 36' ' ' ALA . 1.1 m -131.43 -175.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -86.42 -34.29 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 9.0 mm-40 -123.64 132.93 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -57.4 174.67 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.6 p30 38.46 43.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.525 ' CB ' HD13 ' A' ' 8' ' ' ILE . . . -92.15 99.15 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -57.62 90.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.708 HG12 HG22 ' A' ' 83' ' ' THR . 5.5 m -80.33 157.45 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 25.0 mttm -114.1 114.04 25.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.754 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.1 m95 -91.13 129.67 37.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 74.3 m-85 -124.71 136.33 53.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -105.41 99.23 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.89 28.02 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.68 -22.65 38.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -83.01 147.16 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -82.88 132.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -88.5 136.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -122.19 89.7 48.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.21 144.97 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp180 -132.62 107.44 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 49' ' ' PRO . 20.7 mt -90.39 117.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.483 ' CD ' ' OE1' ' A' ' 60' ' ' GLU . 19.6 ttm105 -115.44 157.3 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.738 HG22 ' CE1' ' A' ' 64' ' ' HIS . 85.3 t -127.8 125.47 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' OE1' ' CD ' ' A' ' 58' ' ' ARG . 1.6 mp0 -124.48 103.53 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.1 -104.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -116.31 14.24 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -131.22 134.3 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.738 ' CE1' HG22 ' A' ' 59' ' ' VAL . 23.5 m-70 -100.4 162.56 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.74 116.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' CE3' ' A' ' 40' ' ' TRP . 42.6 tp -102.1 108.27 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.586 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.98 133.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 67' ' ' ILE . 16.2 mt -115.69 108.31 24.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.44 110.94 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.33 83.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.38 105.81 18.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -103.14 155.03 18.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' THR . 2.6 mmmp? -34.32 -44.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.35 73.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.656 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -46.67 -36.02 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 91.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.59 167.54 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.94 102.88 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -86.55 113.29 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -121.65 135.93 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.683 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.26 165.18 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -145.84 115.23 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 HG12 ' A' ' 38' ' ' VAL . 82.4 p -101.86 -174.96 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 45.3 p -57.37 -31.3 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.19 34.93 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.19 166.59 32.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 88' ' ' SER . 32.8 tt0 -154.76 155.89 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 81' ' ' VAL . 14.6 t -148.21 159.75 43.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 p -149.2 142.2 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -142.55 -175.04 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -132.12 127.43 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 25' ' ' VAL . 19.0 tp -111.88 104.48 12.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -93.86 126.37 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.656 HG21 ' OD2' ' A' ' 75' ' ' ASP . 54.8 t -108.33 130.28 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 36' ' ' ALA . 96.8 mt -113.55 128.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -108.17 134.05 51.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.32 100.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -117.06 99.93 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -68.46 160.78 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.621 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 46.8 mt -63.79 152.87 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -122.28 136.01 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.91 132.74 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.2 m -128.42 144.96 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.8 m -129.21 106.61 8.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.58 -178.54 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -112.71 171.95 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 t -67.47 113.7 5.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.64 -30.54 9.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.0 160.05 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.33 124.66 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.74 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.5 t -95.93 136.89 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -130.96 117.04 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 66' ' ' LEU . 34.5 mt -106.32 111.68 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -99.2 147.91 24.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.9 p -159.25 163.05 36.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -126.67 157.76 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 36' ' ' ALA . 2.6 m -129.7 -177.87 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -86.63 -28.79 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.64 140.33 51.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -63.16 166.1 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HA ' HG11 ' A' ' 59' ' ' VAL . 13.5 t0 35.78 51.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.668 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -85.33 99.17 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -55.47 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.908 HG12 HG22 ' A' ' 83' ' ' THR . 12.6 m -84.62 160.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 43.4 mttt -118.18 110.79 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.504 ' CE3' HD22 ' A' ' 66' ' ' LEU . 67.1 m95 -85.98 120.36 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 49.3 m-85 -113.55 139.51 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -106.37 103.69 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.754 HD21 ' HB1' ' A' ' 77' ' ' ALA . 32.3 m120 65.51 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.67 -28.65 11.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.07 151.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.62 132.62 34.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -90.05 133.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.7 mm -122.7 90.07 49.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.796 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -165.64 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -79.83 136.24 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 8.5 mtt-85 -128.73 112.95 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.796 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.8 mt -97.96 110.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -109.51 147.85 32.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.939 HG22 ' CE1' ' A' ' 64' ' ' HIS . 72.7 t -116.9 105.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.5 -105.69 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -115.82 10.48 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -126.52 134.09 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.939 ' CE1' HG22 ' A' ' 59' ' ' VAL . 22.8 m-70 -95.96 159.95 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.15 118.33 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 27' ' ' LEU . 14.0 tp -104.06 110.75 23.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -101.75 137.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.734 HG21 ' OD2' ' A' ' 75' ' ' ASP . 19.1 mt -119.99 104.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.55 106.6 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.99 78.52 1.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.51 93.29 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -87.08 168.48 13.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 mmmm -45.44 -32.52 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.72 -48.42 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.734 ' OD2' HG21 ' A' ' 68' ' ' ILE . 7.2 t0 -39.59 -38.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.932 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.754 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -149.69 169.93 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.6 103.1 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -91.29 113.05 25.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -120.3 134.86 55.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.493 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.8 m -99.53 164.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 ttm -143.33 123.7 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.908 HG22 HG12 ' A' ' 38' ' ' VAL . 63.3 p -112.99 -175.86 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 p -62.95 -27.27 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -153.29 42.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.79 163.71 36.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 88' ' ' SER . 27.7 tt0 -154.57 155.07 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 8.5 t -147.08 159.24 43.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 p -147.3 145.9 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.621 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.64 175.73 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -128.03 117.44 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 25' ' ' VAL . 34.8 tp -107.31 124.72 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -117.69 126.85 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.932 HG23 ' HB2' ' A' ' 76' ' ' ALA . 95.7 t -106.82 121.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.9 mt -100.05 135.31 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.5 mmt -113.39 138.46 50.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.92 100.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -67.09 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -119.46 97.72 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -62.76 155.2 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 16.8 mt -62.88 155.99 25.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -125.18 126.32 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.82 135.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 92' ' ' LEU . 72.6 m -127.65 140.35 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -127.02 113.49 16.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.44 152.37 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.65 172.07 13.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' ASP . 49.0 t -68.85 119.75 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.76 -16.92 57.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -73.0 164.47 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 67' ' ' ILE . 5.9 ttm180 -99.99 122.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.662 HG23 ' HB2' ' A' ' 71' ' ' ALA . 59.8 t -93.48 139.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -133.08 121.07 22.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 66' ' ' LEU . 52.4 mt -110.98 112.32 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 7.8 tt0 -100.2 149.98 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.485 ' HG ' ' HH2' ' A' ' 40' ' ' TRP . 1.1 p -164.1 160.96 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -124.04 160.78 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -131.37 178.01 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 t -79.31 -30.01 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 31' ' ' VAL . 49.6 mt-10 -103.76 164.97 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.05 156.76 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 39.75 49.97 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 179.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -129.22 92.4 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG12 HG22 ' A' ' 83' ' ' THR . 5.2 m -82.29 159.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 26.3 mttp -114.73 111.1 20.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.2 m95 -85.88 129.29 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.3 m-85 -124.15 132.26 53.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 25.2 tttm -82.88 97.53 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 10.2 p30 50.55 24.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.02 3.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.8 146.48 48.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.49 120.95 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -84.62 131.67 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.4 mm -120.87 90.09 46.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.4 Cg_endo -69.74 -174.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.866 0.365 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -84.32 143.27 29.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.1 mtp85 -135.2 110.12 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.528 HG12 HD13 ' A' ' 66' ' ' LEU . 51.6 mt -94.8 117.08 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -119.41 145.63 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.4 p -117.31 121.93 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -120.91 103.04 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.89 -107.01 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -119.2 18.82 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -135.21 141.81 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' ND1' HG22 ' A' ' 38' ' ' VAL . 18.1 m-70 -104.31 157.09 17.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.95 112.52 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -98.56 104.08 16.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.65 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.4 143.57 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' ILE . 27.7 mt -126.92 101.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -69.77 110.38 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.5 87.51 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.85 91.55 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.5 p -89.25 163.98 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -46.39 -28.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -35.74 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -15.65 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -68.03 93.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -149.76 163.93 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ASN . 32.9 tt0 -76.37 103.96 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -86.43 113.72 22.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.2 m -119.69 135.47 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -99.33 158.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.5 ttm -135.67 127.09 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 HG12 ' A' ' 38' ' ' VAL . 59.6 p -118.28 -179.85 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.7 p -57.76 -31.35 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.32 42.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.9 162.26 36.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' A' ' 88' ' ' SER . 50.7 tt0 -153.96 156.13 36.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.471 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.7 t -147.8 160.17 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.1 p -138.98 147.43 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -149.96 141.25 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -98.76 126.39 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 25' ' ' VAL . 23.6 tp -110.35 117.0 32.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -105.8 130.17 53.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 72' ' ' THR . 78.6 t -105.62 136.87 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' CYS . 7.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.9 mt -102.35 125.52 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 11.4 mmt -101.86 148.02 25.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.0 t -87.68 98.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -63.49 -41.02 98.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 31.5 tttp -117.68 112.33 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -78.24 157.7 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 47.3 mt -62.38 169.53 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -137.74 136.63 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.86 129.42 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 18' ' ' THR . 8.9 m -124.28 152.74 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 17' ' ' THR . 84.7 m -137.07 106.64 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.71 175.44 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.2 160.74 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.41 108.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.83 -14.33 34.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.13 166.3 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' NE ' HG13 ' A' ' 67' ' ' ILE . 18.1 ttt180 -101.19 118.55 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 71' ' ' ALA . 21.2 t -93.25 140.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.86 109.05 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.742 HD12 HD23 ' A' ' 66' ' ' LEU . 29.3 mt -99.78 112.84 25.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 5.5 tt0 -102.1 150.27 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.3 p -161.42 169.86 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 37.5 mt-10 -134.61 151.41 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.4 m -123.26 -175.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' MET . 38.9 t -79.82 -42.18 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.2 mt-10 -99.52 172.47 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -105.15 168.01 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 35.68 42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.57 165.95 15.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -113.8 96.23 5.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.486 HG12 HG22 ' A' ' 83' ' ' THR . 3.0 m -88.83 156.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 31.5 mtpt -112.32 110.95 21.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CE3' HD22 ' A' ' 66' ' ' LEU . 72.8 m95 -85.92 132.33 34.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 39.7 m-85 -125.97 140.8 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 23.2 tttt -101.18 92.08 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 68.41 34.2 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.1 -28.83 14.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.2 144.91 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 35.7 tt0 -81.71 132.64 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -91.24 135.73 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -121.44 90.74 47.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.787 0.327 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CE2' ' NE ' ' A' ' 54' ' ' ARG . 83.4 m-85 -94.38 136.52 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 mtp180 -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.98 109.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -110.85 139.84 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.51 130.23 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -132.66 106.43 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.01 -110.24 3.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -114.98 14.91 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -132.3 136.18 46.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 65' ' ' ILE . 15.2 m-70 -103.1 159.8 15.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.63 107.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.901 HD22 ' CE3' ' A' ' 40' ' ' TRP . 40.7 tp -93.87 104.26 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.19 142.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 67' ' ' ILE . 62.1 mt -128.74 102.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.45 128.38 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.87 90.44 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 111.079 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.652 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.8 p -80.97 178.34 8.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -58.25 -32.39 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.85 -29.85 68.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -65.04 89.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -143.98 171.71 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.85 100.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 81.5 m-85 -86.83 116.52 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -124.54 137.23 54.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.9 m -100.06 157.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 ttm -136.58 123.47 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 38' ' ' VAL . 80.3 p -115.57 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -58.07 -34.36 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -148.81 45.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.61 159.72 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -153.16 150.68 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -146.48 158.9 43.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -144.27 151.16 39.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.633 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -140.87 -177.63 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -133.81 112.77 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.1 tp -106.53 124.08 49.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -117.35 127.52 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.7 t -104.03 132.41 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 63.5 mt -116.59 128.62 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mmt -108.06 139.85 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.51 98.08 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -66.01 -48.88 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -104.52 103.94 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -71.84 160.53 32.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.707 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 81.8 mt -72.68 145.77 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -112.58 137.32 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.98 125.55 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -115.77 144.06 44.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -126.87 104.17 7.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.32 175.87 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -106.54 163.86 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.82 103.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.02 -22.47 16.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.92 165.53 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 67' ' ' ILE . 5.1 ttt85 -103.6 118.71 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 71' ' ' ALA . 53.3 t -93.46 140.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -133.43 103.06 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -93.95 110.21 21.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 15.3 tt0 -100.6 152.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 12.9 p -165.05 172.83 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -140.64 153.91 46.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLU . 24.1 m -125.89 179.32 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -79.49 -39.58 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.5 mt-10 -91.21 172.46 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 15.8 p30 -108.14 167.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 12.4 m-20 34.67 36.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -79.15 166.1 22.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -121.3 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 83' ' ' THR . 10.2 m -77.56 159.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 39.5 mtmt -115.09 110.99 20.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.665 ' CG ' HD12 ' A' ' 66' ' ' LEU . 56.9 m95 -86.34 133.48 33.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.5 m-85 -126.35 139.51 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -104.74 91.19 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 73.78 25.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.38 -35.01 4.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.27 148.21 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.2 141.96 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.9 mt -97.21 128.23 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.63 89.56 28.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.04 4.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.95 151.69 31.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 22.9 mtp180 -140.75 115.64 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.43 112.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -107.49 144.09 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -113.09 122.3 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 24.4 mm-40 -131.41 113.92 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.89 -117.1 6.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -111.01 19.37 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.2 146.92 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.431 ' C ' HD12 ' A' ' 65' ' ' ILE . 23.5 m-70 -113.42 152.53 29.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.26 108.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.665 HD12 ' CG ' ' A' ' 40' ' ' TRP . 9.2 tt -95.41 111.15 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.79 142.49 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.848 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.1 mt -123.38 109.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.72 103.53 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 82.2 1.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.52 90.03 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.417 ' C ' HG11 ' A' ' 94' ' ' VAL . 76.9 p -82.95 170.77 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -48.87 -44.89 40.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.23 86.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -46.65 -31.19 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -59.9 96.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.93 170.5 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.71 100.8 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -87.61 114.41 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.1 m -123.44 139.91 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -100.98 164.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.8 ttm -144.42 124.0 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 38' ' ' VAL . 64.7 p -113.8 -174.92 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.0 p -61.35 -30.48 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.47 45.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.34 163.92 36.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -154.57 152.63 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -143.35 157.72 44.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 p -138.39 152.77 48.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -151.55 156.39 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -112.0 123.79 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 25' ' ' VAL . 21.8 tp -110.82 111.69 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m -101.48 119.94 39.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' A' ' 76' ' ' ALA . 97.3 t -104.47 121.37 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 70.0 mt -97.71 126.31 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -106.83 134.44 49.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -77.72 101.65 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 p -67.83 -46.06 72.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.04 95.56 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -62.79 155.97 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 11.3 mt -62.17 147.88 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.11 132.86 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.74 126.91 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -116.99 141.09 48.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.2 m -120.56 103.33 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.66 175.28 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 3.8 m-85 -105.7 178.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 95' ' ' ASP . 7.9 p -70.1 127.3 32.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.84 13.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 20' ' ' TYR . 19.1 mm-40 -61.38 172.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.54 124.66 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 92' ' ' LEU . 40.1 t -105.04 134.18 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.48 106.33 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 66' ' ' LEU . 60.4 mt -97.6 110.68 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -100.92 149.1 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 p -161.27 167.6 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -130.82 158.73 39.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.6 m -130.14 -177.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 t -80.87 -40.38 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.3 mm-40 -91.98 172.72 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 13.1 p-10 -107.62 157.77 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.2 t70 38.21 45.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.69 -179.79 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -128.84 89.62 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -81.01 153.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 62.4 mttt -109.01 112.94 25.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CE3' HD22 ' A' ' 66' ' ' LEU . 65.4 m95 -87.43 130.11 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 52.0 m-85 -126.31 130.12 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -81.95 99.0 8.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.547 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 10.5 p30 50.96 26.08 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.58 -30.59 6.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.6 130.95 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.85 117.55 13.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -84.3 136.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 5.4 mp -122.19 94.59 47.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.956 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.4 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.823 0.344 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.69 135.14 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 2.2 mpt_? -123.86 122.84 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.956 HD12 ' HG3' ' A' ' 49' ' ' PRO . 26.4 mt -107.12 107.63 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -111.08 139.78 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.2 p -114.19 122.1 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -119.42 106.2 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.22 -106.49 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -117.31 18.43 14.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -136.03 139.5 43.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.456 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.1 m-70 -104.61 162.54 13.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.51 113.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.664 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.3 tp -98.5 107.1 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 1.049 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -97.04 148.66 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.049 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.9 mt -133.08 105.65 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 56' ' ' ARG . 30.8 mt-10 -77.08 102.34 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.93 71.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.82 95.16 5.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -86.76 169.95 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 72' ' ' THR . 20.5 mmtt -52.04 -50.93 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.01 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.7 m-20 -48.76 -34.45 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.729 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -50.27 89.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -144.57 168.46 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ASN . 34.2 tt0 -77.61 103.97 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 64.8 m-85 -86.39 115.12 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.5 m -121.32 139.27 53.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -101.09 163.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 ttm -141.1 130.67 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.535 HG22 HG12 ' A' ' 38' ' ' VAL . 72.1 p -123.52 -178.99 4.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.4 p -57.29 -31.42 65.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.13 46.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.16 161.14 33.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 88' ' ' SER . 37.6 tt0 -153.31 156.29 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.8 t -148.18 159.11 44.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -141.57 146.79 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -148.51 143.94 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.5 mtpm? -101.18 125.57 47.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 25' ' ' VAL . 33.7 tp -111.07 106.78 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -94.4 109.1 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' A' ' 76' ' ' ALA . 39.9 t -89.61 124.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' CYS . 9.9 t0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.5 mt -105.81 126.54 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.8 mmt -105.24 138.17 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.34 99.87 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 p -65.26 -45.63 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 42.5 tttp -109.44 94.38 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -67.11 154.35 41.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HG13 ' A' ' 81' ' ' VAL . 21.6 mt -62.62 157.77 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.8 134.66 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 139.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -140.07 138.51 35.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 m -121.31 108.69 14.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.96 175.95 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.41 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 45.3 m-85 -105.27 172.83 6.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -67.61 116.99 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -21.87 41.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 26.8 mt-10 -58.79 168.09 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 26.1 ttt180 -104.35 119.51 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 71' ' ' ALA . 26.3 t -95.04 138.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CD ' ' NH2' ' A' ' 24' ' ' ARG . 10.4 mt-10 -133.28 109.25 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 66' ' ' LEU . 54.1 mt -99.62 112.32 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 63' ' ' LYS . 5.4 tt0 -100.38 152.18 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -163.21 170.72 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 18.4 mt-10 -137.56 158.0 45.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 13.2 m -128.12 -176.09 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -85.05 -32.41 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.5 mm-40 -96.67 -179.85 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.19 153.49 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 38.91 44.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.42 -178.12 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -126.54 87.8 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -79.29 153.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -110.51 110.94 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.741 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.4 m95 -87.35 129.46 35.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -122.67 140.79 52.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -108.54 92.48 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 74.47 26.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -28.41 13.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.41 144.97 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -83.57 122.03 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.17 134.02 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.7 mm -122.48 90.24 49.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.706 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.73 -170.39 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -83.39 147.55 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 69' ' ' GLU . 17.4 mtt180 -137.17 108.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.706 HD12 ' HG3' ' A' ' 49' ' ' PRO . 19.2 mt -89.55 113.07 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -105.04 155.12 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 64' ' ' HIS . 95.3 t -125.9 114.15 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -123.2 102.33 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.45 -113.48 5.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -112.87 19.04 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -132.6 137.96 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.502 ' CE1' HG22 ' A' ' 59' ' ' VAL . 21.1 m-70 -105.75 155.48 19.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.8 110.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.741 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.4 tp -95.37 103.71 15.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.981 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.92 149.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.981 ' N ' HD13 ' A' ' 67' ' ' ILE . 34.0 mt -131.77 101.05 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' A' ' 56' ' ' ARG . 43.2 mt-10 -67.85 103.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.88 90.8 0.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.93 91.87 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -87.03 175.07 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -53.57 -38.84 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.99 -36.37 82.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.3 -28.8 65.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 92.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.92 169.79 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.41 105.42 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -87.1 112.87 22.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 m -123.6 135.15 53.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 14' ' ' LEU . 2.1 m -100.45 165.32 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.4 ttp -147.34 121.01 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 38' ' ' VAL . 81.5 p -113.75 -175.44 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.8 p -57.39 -33.8 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.01 45.81 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.14 159.78 33.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -153.09 150.1 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -143.47 161.87 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 p -146.39 146.42 30.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.57 144.19 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -97.8 128.96 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 25' ' ' VAL . 29.9 tp -114.38 108.57 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 112.88 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.55 120.62 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.428 HD13 ' HB1' ' A' ' 36' ' ' ALA . 93.9 mt -104.77 119.95 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.458 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 7.2 mmt -100.57 139.1 36.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.21 100.61 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -65.65 -39.59 91.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 48.5 tttp -118.26 100.61 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -62.76 154.16 30.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.963 HD11 HG13 ' A' ' 81' ' ' VAL . 31.8 mt -61.54 157.89 16.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -123.96 133.25 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.88 136.48 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.527 HG21 HG13 ' A' ' 25' ' ' VAL . 89.2 m -125.94 148.86 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -126.68 107.54 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -116.83 175.25 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 95' ' ' ASP . 31.0 m-85 -112.85 176.4 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -70.93 106.93 3.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.23 -3.13 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.97 164.58 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -104.71 119.87 40.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 68' ' ' ILE . 41.1 t -93.71 141.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -131.7 111.32 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -101.4 112.34 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -100.49 147.49 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.7 p -159.54 162.61 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.8 mt-10 -125.39 154.53 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.7 m -128.21 171.73 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.5 t -71.96 -35.12 69.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 31' ' ' VAL . 12.8 mt-10 -98.15 169.82 9.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -104.64 155.37 18.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 41.5 32.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -70.38 174.29 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -121.13 91.53 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.0 m -85.01 160.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 42.0 mtmt -116.6 115.23 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.9 m95 -89.25 131.55 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 42.8 m-85 -125.42 138.3 54.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.0 ttpt -103.55 91.36 4.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 7.4 t-20 71.62 34.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.46 -30.2 10.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.37 150.58 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -91.22 128.06 36.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.98 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.6 mm -124.69 94.86 43.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.9 Cg_endo -69.74 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.857 0.36 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.43 137.59 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp85 -135.51 107.77 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.778 HD12 ' HG3' ' A' ' 49' ' ' PRO . 25.7 mt -90.17 112.65 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -108.02 148.76 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.84 115.98 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -122.18 107.77 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.32 -111.18 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -116.45 16.74 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -131.76 135.23 46.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.758 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.4 m-70 -97.24 165.97 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -149.75 111.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 40' ' ' TRP . 45.4 tp -97.0 105.21 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.675 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.73 140.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 67' ' ' ILE . 8.9 mt -122.25 121.31 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -88.89 104.71 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.48 79.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -81.17 104.95 12.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 94' ' ' VAL . 33.1 p -108.73 168.35 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -35.04 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.75 91.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.08 -21.0 64.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.85 90.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 43' ' ' ASN . . . -149.74 172.07 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -76.05 107.46 8.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 54.3 m-85 -86.27 112.32 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 m -120.83 133.77 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -99.73 157.3 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -134.46 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -123.65 175.41 6.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 p -63.12 -7.02 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' HE2' ' A' ' 9' ' ' MET . . . -170.26 42.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.55 158.29 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -152.46 145.26 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -138.46 162.91 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -143.73 150.57 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.04 159.73 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -110.05 139.4 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.477 HD21 HG21 ' A' ' 25' ' ' VAL . 29.4 tp -128.16 118.79 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -105.0 141.18 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 76' ' ' ALA . 36.4 t -118.49 121.45 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 3.7 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' OG1' ' A' ' 84' ' ' THR . 95.2 mt -115.18 130.67 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mmt -109.64 135.06 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 p -77.7 101.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 p -65.1 -51.94 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -95.05 98.37 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.14 157.9 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.017 HD11 HG13 ' A' ' 81' ' ' VAL . 37.3 mt -71.3 136.31 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -103.66 149.17 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 130.89 47.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -119.48 151.47 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.3 m -130.08 103.62 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.31 178.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' C ' ' OE1' ' A' ' 23' ' ' GLU . 56.3 m-85 -110.24 161.12 15.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.47 114.79 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.62 -35.23 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 20' ' ' TYR . 10.4 mp0 -56.43 164.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.96 126.69 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.642 ' HB ' HD12 ' A' ' 68' ' ' ILE . 63.9 t -95.95 133.42 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -130.06 110.75 11.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 mt -101.54 119.88 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 8.3 tt0 -101.4 145.42 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.97 163.01 39.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -128.74 156.04 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 33' ' ' GLU . 15.5 m -127.01 171.63 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -70.08 -33.34 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.5 mm-40 -102.82 174.49 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -107.0 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.6 t70 37.44 46.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 169.25 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -117.53 92.99 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -82.19 160.34 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.0 mppt? -117.66 111.81 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 66' ' ' LEU . 56.7 m95 -86.89 137.36 32.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 43.5 m-85 -129.11 137.81 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HZ1' ' HA ' ' A' ' 75' ' ' ASP . 4.9 tttp -100.35 99.58 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.582 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.8 m-20 63.85 29.53 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.94 8.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -75.02 146.63 41.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -81.89 131.55 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.1 mt -90.39 136.28 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -124.03 90.32 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.593 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.2 Cg_endo -69.75 177.56 5.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.297 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.422 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 52.0 m-85 -82.46 147.47 28.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 15.5 mtt85 -142.17 110.55 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.593 HD12 ' HG3' ' A' ' 49' ' ' PRO . 29.9 mt -85.89 108.6 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -99.0 141.97 31.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.5 t -112.43 119.22 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.18 102.32 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.25 25.83 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.78 12.34 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.4 ptpp? -128.53 143.82 51.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.5 m-70 -105.35 163.15 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.485 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.75 112.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' CE3' ' A' ' 40' ' ' TRP . 38.3 tp -95.35 110.91 22.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.26 140.3 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 ' HB ' ' A' ' 25' ' ' VAL . 13.9 mt -124.7 101.94 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HG3' HD11 ' A' ' 67' ' ' ILE . 20.7 mt-10 -69.7 104.87 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.55 81.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.62 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.61 92.09 8.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -86.49 167.75 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 8.2 mmmm -51.5 -28.53 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.44 ' HA ' ' HZ1' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -55.15 -37.79 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -47.82 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.99 169.09 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.22 104.05 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 88.1 m-85 -89.25 111.62 22.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.7 m -119.91 134.83 55.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.017 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.03 162.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 ttp -146.35 106.06 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 38' ' ' VAL . 82.8 p -92.23 -179.05 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 49.7 p -48.72 -32.68 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.3 30.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.76 27.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.65 143.2 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -144.69 161.82 38.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 p -143.38 141.63 30.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . . . -137.22 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -123.08 122.85 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 25' ' ' VAL . 16.0 tp -107.45 132.68 52.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -119.29 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 76' ' ' ALA . 60.9 t -113.4 127.65 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.6 mt -106.84 130.24 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -108.9 135.52 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.6 99.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -65.35 -43.08 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -116.41 99.53 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.63 170.25 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 72.8 mt -77.45 150.24 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -116.34 138.03 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.1 121.94 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 92' ' ' LEU . 51.6 m -116.42 143.21 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -121.76 112.83 18.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.59 167.08 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -102.15 164.62 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.48 102.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.51 -16.37 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.5 166.84 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HE ' HD11 ' A' ' 67' ' ' ILE . 22.2 ttt180 -99.32 118.22 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 71' ' ' ALA . 17.9 t -93.36 134.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.97 105.08 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.741 HD12 HD23 ' A' ' 66' ' ' LEU . 37.4 mt -100.21 114.98 28.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -102.13 152.17 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.7 p -161.02 160.89 31.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.3 150.47 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 33' ' ' GLU . 14.1 m -124.46 -176.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -82.63 -41.9 18.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.5 mm-40 -91.74 171.76 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -105.27 163.16 12.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.7 t0 34.76 39.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.47 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -132.1 89.97 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 83' ' ' THR . 6.3 m -83.6 158.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.7 mttm -115.03 110.85 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.5 m95 -85.04 127.68 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.8 m-85 -122.61 139.22 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -103.05 99.82 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.551 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 29.0 m-20 63.7 25.91 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.96 -30.95 7.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.58 149.88 38.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -89.49 131.75 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.05 140.63 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.22 90.41 50.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.76 -175.2 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -82.6 139.37 33.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 3.0 mtp180 -134.78 104.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 49' ' ' PRO . 18.5 mt -82.95 124.97 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -124.42 134.41 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 64' ' ' HIS . 71.0 t -106.2 110.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.22 97.81 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.05 -104.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -111.95 7.93 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 136.59 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 59' ' ' VAL . 8.3 m170 -103.27 163.83 12.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -143.77 108.6 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.741 HD23 HD12 ' A' ' 27' ' ' LEU . 16.2 tp -89.19 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' HE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.09 129.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.5 mt -121.47 102.87 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.0 129.39 37.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.45 76.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.644 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.46 110.67 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASP . 22.0 p -104.99 163.49 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -40.04 -40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.22 94.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.9 m-20 -55.72 -32.2 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 1.013 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.65 90.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -147.17 170.67 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -77.29 99.92 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -86.66 113.22 22.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -116.84 135.87 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -100.69 158.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -137.27 129.13 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.8 HG22 HG12 ' A' ' 38' ' ' VAL . 61.4 p -121.13 -177.97 3.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 p -55.49 -36.21 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -149.1 48.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.51 162.17 32.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -154.42 149.1 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -136.42 161.96 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.6 p -149.35 146.42 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -144.61 173.78 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -127.01 113.38 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 17' ' ' THR . 28.8 tp -102.98 124.83 49.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -112.44 132.25 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 1.013 HG23 ' HB2' ' A' ' 76' ' ' ALA . 86.0 t -110.94 124.05 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.4 mt -101.28 133.84 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.0 mmt -107.49 139.0 42.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.67 99.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -65.5 -37.06 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.5 tttp -118.91 119.8 35.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.93 148.08 24.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 23.0 mt -56.22 144.55 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.28 135.54 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 1.4 t0 -44.17 129.43 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.471 HG21 HG13 ' A' ' 25' ' ' VAL . 90.8 m -121.34 138.14 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -121.51 102.85 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.31 173.25 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -105.56 156.49 18.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.5 t -55.02 105.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.89 -21.38 20.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.7 172.76 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -106.87 121.69 44.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 92' ' ' LEU . 68.2 t -93.34 144.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -133.56 104.09 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 66' ' ' LEU . 44.5 mt -95.22 110.78 22.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 27.1 tt0 -100.31 154.52 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 31.3 p -167.59 173.68 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.5 mt-10 -140.34 160.09 40.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.1 m -130.24 -178.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 t -81.81 -38.54 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 34.7 mt-10 -94.4 175.11 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.8 p30 -108.68 165.66 11.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.2 m-20 34.48 38.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.54 173.01 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.8 96.15 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.694 HG12 HG22 ' A' ' 83' ' ' THR . 5.4 m -83.9 155.04 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.7 mppt? -110.81 111.02 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CE3' HD22 ' A' ' 66' ' ' LEU . 78.5 m95 -84.83 132.96 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 47.2 m-85 -128.73 135.3 49.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 42.9 tttt -96.7 99.39 10.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.56 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.89 26.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.63 -33.75 5.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.0 148.17 40.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.93 138.86 33.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.7 134.86 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mm -117.52 92.78 41.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.92 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.81 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.814 0.34 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -95.53 151.73 19.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 mtp85 -139.22 107.68 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' HG3' ' A' ' 49' ' ' PRO . 14.3 mt -92.62 110.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 19.6 ttm180 -106.07 147.68 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 95.6 t -116.0 119.04 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 35.7 mm-40 -128.69 112.26 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.34 -115.83 7.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -114.13 16.49 18.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -128.3 146.99 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 16.8 m-70 -112.83 152.87 28.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -139.89 107.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 27' ' ' LEU . 18.3 tp -93.29 106.35 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -95.08 133.3 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.745 ' N ' HD13 ' A' ' 67' ' ' ILE . 18.3 mt -115.23 114.62 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.54 105.17 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.49 77.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.06 91.25 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 94' ' ' VAL . 8.3 p -81.25 172.19 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -51.53 -46.28 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.77 84.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -43.54 -38.82 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -49.15 96.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.58 165.9 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -76.93 103.54 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 88.0 m-85 -86.63 111.65 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -117.26 135.81 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.489 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.9 m -99.62 165.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 ttm -146.5 113.92 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.694 HG22 HG12 ' A' ' 38' ' ' VAL . 61.5 p -103.31 -179.3 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.4 p -55.44 -30.49 60.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.25 43.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.83 163.86 37.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -154.43 150.0 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 81' ' ' VAL . 13.4 t -144.86 160.75 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -146.15 147.69 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -143.91 161.17 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -112.88 122.7 48.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 25' ' ' VAL . 21.6 tp -112.76 118.98 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t -110.38 129.72 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 76' ' ' ALA . 64.1 t -107.17 119.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.896 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -112.4 134.38 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.0 mmt -107.18 151.38 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.7 t -89.71 99.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p -66.02 -48.94 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 78.7 tttt -107.26 97.85 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -68.4 156.46 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 21.6 mt -64.82 152.84 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.8 130.52 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.87 134.86 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -130.68 143.32 50.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.6 m -121.39 105.76 10.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.27 -178.44 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' C ' HG13 ' A' ' 94' ' ' VAL . 68.2 m-85 -111.63 159.85 17.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.97 114.95 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.22 -27.65 19.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.6 167.0 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -93.88 125.94 38.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 71' ' ' ALA . 61.4 t -103.76 129.75 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.49 114.97 15.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.87 117.51 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 9.3 tt0 -99.45 150.72 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -163.12 161.89 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 11.6 mt-10 -126.91 162.21 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -129.39 -176.78 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.61 -22.07 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.6 mp0 -123.66 158.03 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 1.7 p30 -92.36 178.38 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.6 m-20 34.94 39.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.93 155.12 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -111.61 98.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 HG22 ' A' ' 83' ' ' THR . 2.9 m -85.77 157.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 10.3 mmtm -112.92 114.04 26.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 66' ' ' LEU . 74.5 m95 -90.11 135.87 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 56.0 m-85 -127.67 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -101.06 94.73 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.95 30.22 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.56 -27.18 12.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.16 153.53 31.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -86.71 131.14 34.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.3 138.1 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.9 mp -124.2 90.15 51.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.1 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -133.53 108.71 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 49' ' ' PRO . 21.3 mt -88.87 109.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -104.0 150.53 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 64' ' ' HIS . 93.3 t -118.75 118.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.45 101.23 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.99 -111.19 3.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -113.46 12.98 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -127.82 143.99 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' HG22 ' A' ' 59' ' ' VAL . 25.3 m-70 -108.45 159.6 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.9 mp -141.27 113.58 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.5 tp -96.61 98.77 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -88.98 140.25 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.713 HG21 ' OD2' ' A' ' 75' ' ' ASP . 31.5 mt -123.68 102.81 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.55 109.46 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 76.71 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.95 91.02 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.13 163.65 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -39.91 -38.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.01 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.713 ' OD2' HG21 ' A' ' 68' ' ' ILE . 6.7 t0 -41.12 -32.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.845 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.63 93.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.75 170.25 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.53 100.54 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -87.03 113.5 22.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.5 m -123.56 135.03 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.548 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -99.55 168.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ttm -146.99 120.38 9.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.549 HG22 HG12 ' A' ' 38' ' ' VAL . 36.8 p -108.63 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.7 p -56.76 -34.35 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.43 40.68 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.8 164.92 35.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.402 ' HG2' ' N ' ' A' ' 88' ' ' SER . 30.2 tt0 -154.75 155.52 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 23.2 t -148.21 158.23 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -138.91 149.76 45.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.98 146.44 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -105.58 125.1 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 25' ' ' VAL . 13.3 tp -114.32 130.51 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -121.44 128.77 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.845 HG23 ' HB2' ' A' ' 76' ' ' ALA . 47.1 t -108.69 132.63 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -89.07 88.85 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.801 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -134.32 94.54 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.75 156.61 25.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -38.06 156.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -52.53 -74.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.6 -177.91 2.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' GLY . 98.2 mt -109.12 141.83 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmt -119.88 132.2 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.07 99.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 56.4 p -63.94 -45.85 87.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -109.65 113.73 26.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.07 145.53 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 30.9 mt -54.28 152.08 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -122.91 139.55 53.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.19 130.18 4.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' HD12 ' A' ' 92' ' ' LEU . 96.6 m -123.76 131.87 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 m -117.55 105.01 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.79 168.86 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.403 ' CE1' ' HE3' ' A' ' 97' ' ' LYS . 51.9 m-85 -94.44 176.21 6.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.83 128.92 37.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.57 -14.14 31.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.52 168.33 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HG3' HD11 ' A' ' 67' ' ' ILE . 32.8 ttt180 -99.97 119.76 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 92' ' ' LEU . 90.4 t -95.44 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -132.58 117.2 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.703 HD12 HD23 ' A' ' 66' ' ' LEU . 22.8 mt -107.36 109.69 21.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -98.96 150.95 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 p -161.97 165.48 27.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -130.79 150.74 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -125.02 -177.23 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -84.86 -35.93 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 31' ' ' VAL . 33.0 mt-10 -95.72 164.5 12.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -99.35 163.09 12.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . 25.0 t70 34.49 39.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.62 177.3 7.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -129.77 87.11 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG12 HG22 ' A' ' 83' ' ' THR . 5.3 m -77.55 160.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 44.2 mttt -114.68 112.42 22.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.793 ' CE3' HD22 ' A' ' 66' ' ' LEU . 69.7 m95 -87.68 127.64 35.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.8 m-85 -123.52 135.16 53.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -100.58 102.38 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.444 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.78 30.98 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.11 29.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -77.15 147.99 36.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 23.6 tt0 -87.4 128.41 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.5 mt -83.99 142.22 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -133.08 89.61 33.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.77 -165.21 0.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.35 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.07 -168.4 29.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.18 36.42 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -131.36 51.48 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.6 m -128.2 169.42 14.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.1 ttm-85 -91.77 -40.82 11.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.27 139.18 32.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.459 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.9 mtp180 -130.78 106.65 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.581 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -84.11 121.61 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -116.04 139.31 50.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.16 122.32 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -128.43 100.98 6.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -106.03 1.03 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -117.96 24.3 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.359 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -137.53 139.79 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.557 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.6 m-70 -108.01 156.57 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.557 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -140.11 108.0 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD22 ' CE3' ' A' ' 40' ' ' TRP . 22.9 tp -94.63 101.15 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.863 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.27 147.09 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.863 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.0 mt -126.08 113.73 35.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.85 108.76 10.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.85 86.9 0.56 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.37 96.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -93.36 174.82 7.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.596 ' H ' HG22 ' A' ' 72' ' ' THR . 13.6 mmtp -54.62 -14.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.0 -38.93 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.9 -31.11 64.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.067 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.94 94.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -148.75 171.6 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.29 100.36 6.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.64 115.85 25.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.3 m -121.39 135.46 55.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.1 155.81 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.1 ttm -138.28 123.3 19.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.663 HG22 HG12 ' A' ' 38' ' ' VAL . 57.8 p -112.57 -174.95 2.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -63.15 -21.79 66.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -158.44 42.77 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.71 161.86 35.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -154.71 147.71 24.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.426 ' HB3' HG22 ' A' ' 81' ' ' VAL . 21.8 t -143.42 162.29 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.01 148.79 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -146.14 167.42 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -119.63 119.98 35.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 25' ' ' VAL . 36.6 tp -109.4 109.37 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -102.55 125.88 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.067 HG23 ' HB2' ' A' ' 76' ' ' ALA . 83.1 t -100.4 130.64 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.16 136.0 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 97' ' ' LYS . 18.1 mt -82.71 106.65 14.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -36.56 122.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.8 t -86.47 145.25 26.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.89 159.21 34.87 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 120.41 7.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 m -77.26 88.62 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.9 t -136.5 146.97 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -112.6 163.82 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -160.08 123.52 3.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.61 -53.35 4.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -79.02 137.77 37.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -114.78 158.76 21.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.28 172.78 25.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 90.9 mt -111.92 125.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.1 mmt -104.23 136.2 44.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.405 ' HB ' ' NE2' ' A' ' 13' ' ' GLN . 71.3 t -78.64 100.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -65.91 -41.19 91.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 72.2 tttt -116.22 96.66 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' NE2' ' HB ' ' A' ' 10' ' ' VAL . 32.8 mm-40 -63.15 160.8 14.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.686 HD11 HG13 ' A' ' 81' ' ' VAL . 57.5 mt -70.59 151.9 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -120.72 141.5 50.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.01 142.07 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.753 ' O ' HD12 ' A' ' 92' ' ' LEU . 88.8 m -139.52 141.03 37.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -122.85 107.31 11.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -115.51 164.07 14.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -66.5 105.62 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.71 -10.26 32.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.464 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -79.79 166.84 21.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 0.0 110.91 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.445 ' NE ' HG13 ' A' ' 67' ' ' ILE . 15.5 ttt180 -96.56 118.28 32.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' A' ' 71' ' ' ALA . 58.0 t -94.75 138.0 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -132.15 116.19 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.9 mt -108.25 109.55 20.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -98.05 150.04 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.4 p -162.32 165.05 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 21.8 mt-10 -132.66 155.82 48.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 15.8 m -128.18 -177.36 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -79.5 -42.03 26.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.39 -176.16 5.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 25.1 p30 -115.46 153.2 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 34.78 41.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.87 174.32 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -114.3 93.22 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -87.52 154.04 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -112.0 114.47 27.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.621 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.6 m95 -88.1 138.81 31.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 44.7 m-85 -133.34 137.13 45.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 16.9 tttt -102.56 98.2 8.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 68.79 31.35 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.89 -27.09 22.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -76.51 148.55 37.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 28.1 tt0 -84.8 136.08 33.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.2 mt -95.44 145.72 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -133.51 93.54 21.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.694 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.1 Cg_endo -69.78 -177.11 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.28 -169.66 28.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -33.61 16.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -112.32 44.03 1.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -130.54 167.76 18.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 8.7 mpt_? -93.79 -34.78 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -86.23 136.06 33.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 67' ' ' ILE . 12.4 mtm180 -130.38 109.59 10.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.694 HD12 ' HG3' ' A' ' 49' ' ' PRO . 62.6 mt -87.97 139.95 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.73 138.52 45.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.01 122.01 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -132.71 103.51 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.77 -113.66 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -115.17 23.56 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -138.51 136.99 36.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.442 ' C ' HD12 ' A' ' 65' ' ' ILE . 22.4 m-70 -101.25 159.66 15.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.46 107.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.621 HD22 ' CE3' ' A' ' 40' ' ' TRP . 41.3 tp -94.27 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.475 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.89 133.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -113.06 110.79 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -71.77 113.4 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.2 81.53 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.641 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.88 92.34 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 p -74.71 172.12 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -57.83 -37.29 73.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.23 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 77' ' ' ALA . 11.4 m-20 -51.11 -38.94 54.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -45.26 92.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -147.52 171.71 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -78.73 100.66 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 60.0 m-85 -86.69 112.79 21.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.2 m -121.1 141.3 50.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 14' ' ' LEU . 1.6 m -102.81 162.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.2 ttp -141.96 127.15 18.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.532 HG22 HG12 ' A' ' 38' ' ' VAL . 72.3 p -118.78 -175.59 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.9 p -61.31 -29.83 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.98 38.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -160.98 159.6 31.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.5 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -154.9 145.43 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 t -144.78 151.04 38.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -138.83 145.27 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -138.32 171.23 14.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -120.08 127.84 52.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' THR . 14.3 tp -118.43 123.59 45.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m -115.52 111.8 21.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG23 ' HB2' ' A' ' 76' ' ' ALA . 80.1 t -93.79 117.62 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.18 163.94 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -97.29 106.88 19.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -63.51 171.06 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.6 p -45.72 -32.19 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.57 143.08 7.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.1 32.1 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 t -84.61 152.11 24.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.2 p -60.03 133.88 56.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.489 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -147.46 164.44 33.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -143.1 169.75 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.33 117.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -174.62 114.72 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.796 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -110.83 97.36 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.06 -176.45 7.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 91.7 mt -116.9 127.67 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mmt -104.76 139.81 39.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -82.48 100.95 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.0 p -65.62 -48.63 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -107.33 94.51 5.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -64.8 155.77 32.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 22.9 mt -63.51 146.8 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.4 139.05 51.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.8 135.57 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.0 m -129.49 141.24 51.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.9 m -122.57 106.83 11.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.03 178.13 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -105.66 161.2 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.4 t -61.45 107.34 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.56 -22.2 31.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -62.13 167.9 3.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' NH2' ' OE2' ' A' ' 26' ' ' GLU . 23.6 ttt180 -98.29 120.69 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.696 HG21 HD21 ' A' ' 92' ' ' LEU . 41.2 t -96.06 135.86 28.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 26.8 mt-10 -131.69 108.5 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 66' ' ' LEU . 33.6 mt -99.11 112.74 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 5.6 tt0 -100.77 146.68 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.7 p -158.08 156.43 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -121.56 154.25 36.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.5 m -126.38 -179.76 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.7 t -87.44 -2.07 58.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 31' ' ' VAL . 8.5 mm-40 -128.36 170.39 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' ASP . 7.2 p-10 -108.63 161.66 14.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 73.7 m-20 35.52 40.6 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.87 175.91 10.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -126.54 88.69 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.5 m -80.85 160.06 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.9 mmtt -117.04 115.02 24.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 66' ' ' LEU . 60.3 m95 -90.65 132.07 35.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 57.0 m-85 -125.95 135.63 52.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.1 tttp -101.31 99.57 9.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 63.78 30.58 14.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.22 -20.18 48.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -82.31 144.84 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.65 127.36 33.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.6 mt -85.84 132.06 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.6 mm -118.38 90.97 40.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.72 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 177.53 5.52 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.57 -169.74 37.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -29.17 24.44 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -104.89 -37.89 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 m -45.45 163.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -91.29 -35.56 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -83.67 139.83 32.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 9.5 mtp85 -135.86 105.25 6.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 HD13 ' HD1' ' A' ' 40' ' ' TRP . 51.7 mt -86.6 109.9 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -107.32 139.07 42.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.3 p -114.99 121.74 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -124.36 110.95 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.93 -106.18 1.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -119.97 20.17 12.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 8.0 ptpp? -133.73 142.91 48.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.644 ' CE1' HG13 ' A' ' 38' ' ' VAL . 24.1 m-70 -108.17 151.12 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.06 122.17 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' CE3' ' A' ' 40' ' ' TRP . 30.9 tp -105.7 101.06 10.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.947 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -89.84 146.63 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.947 ' N ' HD13 ' A' ' 67' ' ' ILE . 20.8 mt -132.25 104.66 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -70.21 105.91 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.59 87.04 0.82 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.15 92.26 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.411 ' O ' HG21 ' A' ' 94' ' ' VAL . 18.2 p -84.23 177.98 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -55.03 -34.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.18 68.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.0 OUTLIER -59.22 -28.64 66.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.83 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.81 168.85 19.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -77.76 103.85 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 85.2 m-85 -89.91 111.47 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.2 m -115.88 137.85 51.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 14' ' ' LEU . 3.0 m -102.39 160.33 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.4 ttp -142.49 113.1 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.554 HG22 HG12 ' A' ' 38' ' ' VAL . 82.0 p -101.82 -176.18 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.169 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.2 p -60.63 -24.38 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -156.54 44.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.72 163.42 36.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -154.7 146.73 23.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -140.68 162.81 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -147.84 142.13 26.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.637 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.29 160.58 39.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.07 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -114.5 118.92 35.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 25' ' ' VAL . 46.3 tp -108.93 119.84 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 m -111.28 138.39 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 76' ' ' ALA . 90.8 t -114.64 131.06 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -130.8 167.46 18.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -96.36 123.39 39.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -57.14 141.36 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -95.71 100.45 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.09 83.72 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -3.66 12.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.312 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -95.06 173.33 7.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.6 m -63.81 -51.39 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 m -58.7 139.55 55.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -82.72 112.22 19.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.71 135.68 4.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -50.77 136.53 21.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -112.19 -54.45 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.98 177.82 48.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 86.3 mt -115.04 119.92 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mmt -94.12 141.92 27.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.2 t -86.04 99.55 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 p -64.37 -49.29 72.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -101.31 102.86 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -75.46 156.55 35.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.66 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 20.1 mt -67.69 152.52 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -122.85 141.34 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.31 127.29 14.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.569 ' O ' HD12 ' A' ' 92' ' ' LEU . 54.1 m -121.57 138.87 54.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.3 m -117.64 105.48 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.05 168.92 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -94.39 174.37 7.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.71 119.84 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.22 -21.08 48.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.47 167.3 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -101.05 122.72 44.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG21 HD21 ' A' ' 92' ' ' LEU . 40.7 t -96.31 137.95 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -129.03 109.65 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.5 HD12 HD23 ' A' ' 66' ' ' LEU . 43.9 mt -101.25 111.76 24.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -100.82 150.23 23.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.1 p -160.79 170.71 20.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -134.78 164.97 26.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 2.5 m -132.48 -178.94 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -77.99 -33.35 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.8 mm-40 -103.1 -175.24 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -117.75 164.0 15.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.5 t0 38.37 49.98 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.26 178.66 5.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -129.49 94.55 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -80.83 155.77 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 55.1 mttp -111.53 111.12 21.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.581 ' CE3' HD22 ' A' ' 66' ' ' LEU . 48.8 m95 -88.1 130.35 35.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 38.4 m-85 -125.85 138.18 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -104.98 100.77 10.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.786 HD21 ' HB1' ' A' ' 77' ' ' ALA . 19.8 m120 67.13 30.92 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 -24.69 31.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.63 151.12 29.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -88.52 129.21 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.6 mt -82.79 135.6 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.7 mm -120.76 90.1 45.97 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 54.0 Cg_endo -69.77 -176.53 1.52 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.692 2.262 . . . . 0.0 112.357 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.29 -174.32 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -1.36 8.33 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -130.62 -35.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 49' ' ' PRO . 44.9 t -50.17 160.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -87.42 -17.45 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -104.84 146.69 28.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 28.0 mtp180 -136.59 108.27 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.26 120.82 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -123.77 141.51 51.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.11 127.16 72.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -130.34 113.44 14.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.56 -107.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -120.14 19.13 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -135.69 136.67 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 21.9 m-70 -102.71 163.52 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.3 mp -146.18 116.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.581 HD22 ' CE3' ' A' ' 40' ' ' TRP . 37.5 tp -102.66 105.7 16.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -95.61 141.13 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 67' ' ' ILE . 11.0 mt -125.24 104.62 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.12 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.79 103.34 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.57 83.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -89.84 90.61 8.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.83 160.72 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.72 -47.59 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.1 86.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.0 -40.17 6.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -51.89 95.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.2 170.46 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.39 100.07 8.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -86.79 111.43 20.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m -114.54 136.62 52.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -99.51 166.59 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -151.07 113.91 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.606 HG22 HG12 ' A' ' 38' ' ' VAL . 63.5 p -104.58 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.1 p -50.09 -36.24 28.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.06 41.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -157.14 160.28 30.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.07 140.65 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -141.31 162.16 36.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -147.27 144.16 28.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.66 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -139.43 155.47 47.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -106.57 121.45 44.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 17' ' ' THR . 21.7 tp -114.29 117.35 30.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -111.6 124.68 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.4 t -102.82 123.77 56.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.58 160.28 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.34 113.69 25.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -68.24 147.53 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -135.0 176.17 8.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.08 145.75 18.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 90.41 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t -120.12 164.06 16.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 73.7 m -120.61 118.62 30.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -108.84 144.9 36.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.866 0.365 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 4' ' ' GLY . 39.8 p -79.12 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.38 -85.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 p -83.38 164.84 19.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 t -120.55 81.88 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.98 -178.53 23.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 77.2 mt -115.68 123.96 71.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.7 mmt -106.32 138.76 41.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.0 t -76.94 101.78 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -65.8 -43.27 89.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -112.33 101.11 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -69.63 147.89 50.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD11 HG13 ' A' ' 81' ' ' VAL . 20.8 mt -58.65 156.55 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.88 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.25 129.29 24.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 m -119.87 147.49 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.57 HG23 ' OG ' ' A' ' 93' ' ' SER . 78.5 m -124.08 105.31 9.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -110.92 -178.39 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -116.58 158.56 23.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HA ' ' CG1' ' A' ' 94' ' ' VAL . 11.4 t -57.16 108.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.35 -20.12 38.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.514 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.65 163.5 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.1 ttm180 -97.68 126.4 42.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 HD21 ' A' ' 92' ' ' LEU . 39.9 t -98.97 132.21 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -122.98 106.78 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.529 HD12 HD23 ' A' ' 66' ' ' LEU . 41.5 mt -98.27 111.23 23.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.98 151.24 21.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.9 p -163.2 165.19 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -129.86 158.09 40.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.8 m -129.54 178.71 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.9 t -77.16 -40.2 46.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.3 mm-40 -93.76 172.9 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -106.77 162.13 14.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 t70 35.14 41.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.26 -179.31 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.91 91.53 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.645 HG12 HG22 ' A' ' 83' ' ' THR . 5.0 m -81.91 153.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -110.77 114.27 27.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.748 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.8 m95 -89.02 139.57 30.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 41.6 m-85 -133.62 137.47 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -103.62 103.76 13.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.464 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 28.7 m-20 63.47 26.0 14.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.0 -29.81 9.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -77.57 152.02 34.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.18 141.35 30.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.2 mt -96.01 138.26 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -124.69 89.94 51.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.81 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -173.44 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.222 . . . . 0.0 112.331 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 152.85 -171.19 31.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.68 14.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 41.42 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -125.28 165.79 17.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -86.13 -44.56 12.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -82.3 141.7 32.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 25.3 mtp85 -137.28 109.63 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.81 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.5 mt -89.8 109.2 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 ttm-85 -103.24 150.95 23.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -121.8 118.51 55.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -126.69 98.39 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.57 -116.26 8.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -109.7 19.36 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.64 137.01 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' C ' HD12 ' A' ' 65' ' ' ILE . 20.5 m-70 -102.22 160.34 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.76 111.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.748 HD22 ' CE3' ' A' ' 40' ' ' TRP . 50.8 tp -95.62 104.27 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.13 135.42 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.424 HD12 ' HB ' ' A' ' 25' ' ' VAL . 14.4 mt -118.04 115.38 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -82.56 107.43 15.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.6 73.88 1.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -80.46 91.83 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -90.23 170.52 10.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' H ' HG22 ' A' ' 72' ' ' THR . 1.7 mptp? -46.38 -34.68 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.34 86.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.64 -27.85 59.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.98 89.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -149.05 170.47 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -80.1 102.93 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -86.61 112.41 21.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.5 m -122.34 138.7 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.658 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -101.17 170.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' LYS . 6.6 tmm? -150.6 123.07 8.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.645 HG22 HG12 ' A' ' 38' ' ' VAL . 69.0 p -115.93 -177.43 3.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -28.79 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -154.15 46.78 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.89 158.59 30.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -154.44 137.0 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -131.09 158.31 40.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p -142.66 146.9 34.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.87 157.2 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -108.87 138.08 45.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 25' ' ' VAL . 32.4 tp -119.55 135.05 54.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.57 ' OG ' HG23 ' A' ' 18' ' ' THR . 4.0 p -121.58 140.38 52.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 21' ' ' CYS . 39.2 t -126.28 117.59 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -117.87 160.42 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -89.16 117.47 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -56.47 -49.53 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.5 t -110.88 110.87 21.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.59 -158.01 27.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.48 62.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -96.89 122.23 39.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.5 m -87.66 150.24 23.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -75.21 -53.29 9.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 p -72.11 145.28 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.88 -169.12 26.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -144.63 111.83 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -167.02 152.27 7.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.73 -170.67 38.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.446 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 92.7 mt -120.16 130.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 mmt -102.18 144.74 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.9 t -87.06 103.33 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -66.89 -44.44 80.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -112.35 112.65 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.98 151.49 24.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.702 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 7.7 mt -62.43 147.96 47.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -116.86 136.92 52.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -44.2 129.39 6.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -126.4 149.08 49.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -130.54 108.5 9.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.04 -179.02 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -106.05 167.13 10.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.9 p -69.83 108.23 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.07 -6.18 39.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.88 169.96 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -102.73 122.17 43.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.685 HG21 HD21 ' A' ' 92' ' ' LEU . 45.8 t -93.93 139.24 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -132.04 116.11 16.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.9 mt -106.62 114.66 28.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -100.69 151.61 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.63 163.94 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -131.51 154.17 49.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.6 m -123.24 -175.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 p -85.89 -16.4 38.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.0 mm-40 -113.78 -177.74 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.04 156.6 27.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 37.57 37.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.76 -176.13 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -128.62 92.23 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.573 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -83.93 157.79 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 82' ' ' MET . 26.9 mttm -117.27 116.45 27.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.577 ' CE3' HD22 ' A' ' 66' ' ' LEU . 43.0 m95 -91.75 139.59 30.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 31.8 m-85 -134.74 131.83 38.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -101.36 107.99 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.665 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 35.6 m120 63.83 27.28 14.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.95 -24.64 30.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -81.5 142.48 32.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.74 139.84 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.3 mt -93.19 145.91 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -133.25 89.59 32.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.77 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.8 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.63 -175.85 34.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.25 34.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -126.22 42.75 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 m -130.23 164.11 25.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -82.22 -42.84 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -80.99 136.48 36.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 30.3 mtp180 -133.35 108.52 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.77 HD12 ' HG3' ' A' ' 49' ' ' PRO . 32.6 mt -89.38 120.13 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.6 ttm-85 -116.36 140.08 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.55 119.62 61.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -125.77 100.32 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.37 -116.36 7.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -109.68 16.3 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -134.72 132.81 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' HG13 ' A' ' 38' ' ' VAL . 15.2 m-70 -97.48 165.95 11.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.55 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -147.01 116.62 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.0 tp -101.45 111.13 23.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.637 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.93 138.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 67' ' ' ILE . 19.3 mt -121.59 104.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.53 107.77 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.56 91.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.631 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.94 99.38 12.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 p -94.84 178.53 5.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -49.89 -45.42 50.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.28 91.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.157 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.17 -31.01 51.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.055 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -67.91 91.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.665 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -145.17 171.51 14.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -78.47 102.03 7.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -87.46 113.9 23.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -121.42 136.71 54.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.8 169.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.184 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LYS . 7.2 tmm? -150.77 110.67 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.573 HG22 HG12 ' A' ' 38' ' ' VAL . 48.8 p -97.02 -176.35 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.4 p -65.73 -7.2 14.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -169.55 33.39 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -158.61 164.41 33.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -154.72 139.3 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -137.1 159.79 40.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.9 p -141.18 149.94 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -153.36 140.56 19.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -99.07 124.39 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.685 HD21 HG21 ' A' ' 25' ' ' VAL . 22.1 tp -111.71 114.66 27.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -102.52 130.29 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.055 HG23 ' HB2' ' A' ' 76' ' ' ALA . 29.5 t -109.59 131.77 59.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.12 165.19 25.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 96' ' ' LEU . 3.8 mp -94.93 119.93 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -68.6 -54.37 16.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.9 p -111.39 130.99 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.17 149.41 17.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -16.89 38.07 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.278 . . . . 0.0 112.328 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.4 m -40.2 120.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.3 m -66.86 -55.27 15.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -109.68 108.29 18.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.39 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -38.45 110.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.89 135.08 7.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -78.8 113.25 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -48.72 131.41 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.21 162.6 9.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 79.4 mt -95.01 121.2 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mmt -99.64 139.64 35.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -81.42 99.02 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.2 p -64.42 -47.79 77.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -105.77 98.09 7.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -66.28 155.82 36.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD11 HG13 ' A' ' 81' ' ' VAL . 42.5 mt -64.87 149.49 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -121.16 139.72 52.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 1.3 t0 -46.37 129.88 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.491 ' O ' HD12 ' A' ' 92' ' ' LEU . 24.2 m -124.35 128.25 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.4 m -111.34 104.73 13.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.66 -179.66 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -107.78 174.85 5.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -73.81 116.04 13.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.15 -28.28 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -57.62 167.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.811 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.6 ttm180 -99.91 127.83 46.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.655 HG23 ' HB2' ' A' ' 71' ' ' ALA . 40.4 t -100.46 141.48 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -133.78 105.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.748 HD12 HD23 ' A' ' 66' ' ' LEU . 47.3 mt -94.63 110.5 22.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 8.8 tt0 -100.6 147.59 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.8 p -159.83 165.53 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.17 156.48 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 33' ' ' GLU . 4.7 m -126.11 -178.47 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.4 p -81.37 -33.06 32.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.2 mm-40 -99.85 179.02 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.7 p30 -112.4 164.2 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.4 m-20 34.98 46.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.36 176.58 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -129.17 88.62 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -77.31 161.14 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.4 mtmt -118.68 111.73 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.662 ' CE3' HD22 ' A' ' 66' ' ' LEU . 52.6 m95 -86.64 133.86 33.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 34.7 m-85 -128.0 135.21 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 17.3 tttt -103.32 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.603 HD21 ' HB1' ' A' ' 77' ' ' ALA . 7.0 m120 68.6 29.08 5.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.55 -24.67 30.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -81.58 142.84 32.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -83.13 127.3 33.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.37 137.47 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -121.58 90.34 47.95 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.606 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.14 -166.95 30.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.644 2.229 . . . . 0.0 112.415 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 61.69 41.38 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 m -118.06 163.76 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -78.14 -46.21 21.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -94.33 138.42 32.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -138.98 105.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.606 HD12 ' HG3' ' A' ' 49' ' ' PRO . 43.2 mt -81.04 117.14 26.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -122.53 136.1 54.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.0 p -113.39 133.04 60.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -131.73 108.57 9.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.17 -104.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -120.56 20.16 11.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -137.67 136.17 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CE1' HG13 ' A' ' 38' ' ' VAL . 20.2 m-70 -101.22 159.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -142.31 110.34 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.748 HD23 HD12 ' A' ' 27' ' ' LEU . 40.9 tp -95.37 103.91 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -92.05 146.55 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.094 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.0 mt -131.38 102.89 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.57 108.32 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.59 82.64 1.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.655 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -88.7 93.28 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -94.73 162.44 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 72' ' ' THR . 3.2 mptp? -34.19 -51.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.27 -45.64 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -44.41 -41.08 5.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.835 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -48.07 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -148.51 165.22 31.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.083 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.91 100.75 8.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.493 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 72.5 m-85 -86.55 111.78 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.3 m -118.48 136.18 53.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.564 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -99.5 163.7 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -144.05 120.14 10.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.597 HG22 HG12 ' A' ' 38' ' ' VAL . 76.1 p -113.34 176.14 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.8 p -47.54 -35.67 9.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.92 45.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -162.18 158.3 30.3 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -154.75 141.01 18.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 t -145.11 161.7 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.4 t -147.45 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -142.51 178.15 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -125.41 122.03 35.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 25' ' ' VAL . 12.0 tp -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -94.63 130.18 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' A' ' 76' ' ' ALA . 11.7 t -112.15 130.7 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.78 167.37 21.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.87 117.01 31.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -59.41 108.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.6 p -127.17 98.71 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.28 -158.07 9.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.19 34.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 t -111.57 121.19 44.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -83.41 -59.0 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -134.04 96.67 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.809 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -172.08 143.5 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.14 -167.97 38.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -93.09 79.62 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -42.57 105.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.37 170.43 41.98 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.777 HD13 ' HB1' ' A' ' 36' ' ' ALA . 92.5 mt -113.03 133.03 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.112 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.5 mmt -110.49 133.81 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -76.67 98.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 43.7 p -61.66 -38.92 89.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 13.5 ttmm -118.1 110.71 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -78.56 152.79 31.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.745 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 26.1 mt -57.01 154.86 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 58.3 mt-10 -123.89 124.87 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -34.43 137.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 m -131.14 147.96 52.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.3 m -128.94 104.89 7.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.92 173.02 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CD2' ' HE3' ' A' ' 97' ' ' LYS . 64.8 m-85 -108.58 159.54 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 t -54.4 108.57 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.91 8.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.1 169.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' NE ' HG13 ' A' ' 67' ' ' ILE . 39.1 ttt180 -102.96 123.41 46.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.747 HG23 ' HB2' ' A' ' 71' ' ' ALA . 47.2 t -94.66 137.68 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -133.84 103.9 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -99.51 109.22 21.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -95.89 158.99 15.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 7.9 p -167.01 168.25 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 23.5 mt-10 -133.17 154.6 50.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.5 m -126.45 -176.91 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.7 p -76.5 -36.11 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.1 pt-20 -116.26 177.23 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.29 162.69 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.561 ' HA ' HG11 ' A' ' 59' ' ' VAL . 3.5 m-20 35.43 37.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.777 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -68.38 105.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.088 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -52.83 87.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.759 HG13 ' O ' ' A' ' 36' ' ' ALA . 5.9 m -88.11 163.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.076 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 11.1 mmtt -120.57 115.11 22.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.633 ' CG ' HD12 ' A' ' 66' ' ' LEU . 65.8 m95 -92.0 128.04 37.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 71.9 m-85 -121.09 141.1 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.4 tttt -105.28 93.44 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 69.39 30.7 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.44 -29.54 11.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.28 150.78 33.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -86.55 134.47 33.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.3 mt -92.25 141.98 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.4 mm -130.34 89.86 43.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 0.0 111.13 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.92 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.42 -168.17 25.56 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -39.54 6.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.694 2.262 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -106.58 42.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.7 m -129.16 166.56 19.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -90.63 -45.35 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.418 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 47.1 m-85 -79.72 144.19 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 67' ' ' ILE . 31.2 mtp180 -141.37 113.66 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.9 mt -92.93 132.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 49.3 ttm-85 -117.71 154.56 31.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' ' 35' ' ' ASP . 84.6 t -125.28 125.43 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.092 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.4 97.99 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -114.04 21.07 15.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' HD11 ' A' ' 65' ' ' ILE . 2.4 ptpt -135.62 145.67 47.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.527 ' C ' HD12 ' A' ' 65' ' ' ILE . 19.5 m-70 -115.28 160.34 19.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.527 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -147.95 113.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.633 HD12 ' CG ' ' A' ' 40' ' ' TRP . 8.8 tt -96.18 112.97 24.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.869 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -98.2 143.53 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.869 ' N ' HD13 ' A' ' 67' ' ' ILE . 23.9 mt -127.64 104.15 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -71.77 108.31 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.2 80.54 1.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.747 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -85.55 88.8 7.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.409 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -84.26 161.61 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' THR . 34.4 mmtt -37.21 -58.76 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.82 -47.7 8.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 72' ' ' THR . 1.1 m-20 -41.48 -36.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.41 93.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.05 171.19 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.4 101.75 10.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 57.0 m-85 -87.51 114.36 24.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.9 m -126.23 142.89 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -105.26 166.56 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.8 ttm -147.11 135.77 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.541 HG22 HG12 ' A' ' 38' ' ' VAL . 46.5 p -126.35 177.89 6.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 69.1 p -53.69 -18.0 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -165.31 46.64 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.06 161.0 34.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -154.55 141.12 18.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.49 ' HB3' HG22 ' A' ' 81' ' ' VAL . 25.5 t -135.03 153.82 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.3 p -135.65 150.41 49.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.745 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -153.61 146.13 24.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -99.54 138.55 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 25' ' ' VAL . 23.7 tp -125.0 109.14 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -99.4 116.65 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.2 t -99.03 113.34 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.54 165.97 11.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.3 104.82 16.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HE3' ' CD2' ' A' ' 20' ' ' TYR . 14.9 ttmt -44.48 148.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t 64.08 43.05 5.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -121.81 -95.24 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 107.74 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.6 p -152.39 140.86 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.1 m -99.49 175.29 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.79 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.532 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -68.41 145.61 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.863 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -56.83 95.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.87 -167.82 41.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -102.86 136.73 42.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -123.14 83.06 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.86 179.81 16.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.525 HD13 ' CB ' ' A' ' 36' ' ' ALA . 80.2 mt -118.35 129.26 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -109.14 141.65 41.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.476 HG13 HE21 ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.29 98.09 6.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 p -63.26 -49.29 74.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.9 tttp -98.63 102.83 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.476 HE21 HG13 ' A' ' 10' ' ' VAL . 36.2 mm-40 -73.18 162.66 29.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD11 HG13 ' A' ' 81' ' ' VAL . 55.5 mt -68.79 155.8 39.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -124.15 139.24 54.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 134.56 18.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 92' ' ' LEU . 92.6 m -130.47 141.95 50.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.4 m -123.1 104.13 9.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -107.7 177.26 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CG ' ' HG3' ' A' ' 97' ' ' LYS . 38.4 m-85 -109.42 173.22 6.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -70.4 111.88 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.93 -18.25 52.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 57.8 mt-10 -69.48 164.9 22.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.358 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 122.51 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.9 t -94.51 140.22 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -132.83 111.41 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 mt -103.17 116.38 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -103.73 150.33 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.5 p -161.07 175.77 12.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 40.4 mt-10 -137.94 162.83 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 36' ' ' ALA . 1.1 m -131.43 -175.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.7 p -86.42 -34.29 20.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 9.0 mm-40 -123.64 132.93 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.4 OUTLIER -57.4 174.67 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.6 p30 38.46 43.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.525 ' CB ' HD13 ' A' ' 8' ' ' ILE . . . -92.15 99.15 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -57.62 90.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.708 HG12 HG22 ' A' ' 83' ' ' THR . 5.5 m -80.33 157.45 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 25.0 mttm -114.1 114.04 25.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.754 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.1 m95 -91.13 129.67 37.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 74.3 m-85 -124.71 136.33 53.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -105.41 99.23 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 70.89 28.02 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.68 -22.65 38.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.442 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -83.01 147.16 28.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -82.88 132.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -88.5 136.82 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.8 mp -122.19 89.7 48.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.334 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.91 -177.13 39.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 2.5 3.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.274 . . . . 0.0 112.375 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -132.87 -35.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' A' ' 54' ' ' ARG . 1.7 t -47.23 174.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.445 ' N ' ' OG ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -99.1 -29.85 12.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -90.21 144.97 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp180 -132.62 107.44 8.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 49' ' ' PRO . 20.7 mt -90.39 117.05 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' CD ' ' OE1' ' A' ' 60' ' ' GLU . 19.6 ttm105 -115.44 157.3 24.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.738 HG22 ' CE1' ' A' ' 64' ' ' HIS . 85.3 t -127.8 125.47 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' OE1' ' CD ' ' A' ' 58' ' ' ARG . 1.6 mp0 -124.48 103.53 8.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.1 -104.16 0.43 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -116.31 14.24 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -131.22 134.3 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.738 ' CE1' HG22 ' A' ' 59' ' ' VAL . 23.5 m-70 -100.4 162.56 12.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.74 116.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD22 ' CE3' ' A' ' 40' ' ' TRP . 42.6 tp -102.1 108.27 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.586 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -97.98 133.61 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 67' ' ' ILE . 16.2 mt -115.69 108.31 24.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.44 110.94 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.33 83.01 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.38 105.81 18.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -103.14 155.03 18.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 72' ' ' THR . 2.6 mmmp? -34.32 -44.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.52 -47.35 73.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.656 ' OD2' HG21 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -46.67 -36.02 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 91.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ASP . . . -148.59 167.54 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -78.94 102.88 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -86.55 113.29 22.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -121.65 135.93 54.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.683 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.26 165.18 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttm -145.84 115.23 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.708 HG22 HG12 ' A' ' 38' ' ' VAL . 82.4 p -101.86 -174.96 2.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 45.3 p -57.37 -31.3 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.19 34.93 0.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -155.19 166.59 32.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 88' ' ' SER . 32.8 tt0 -154.76 155.89 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 81' ' ' VAL . 14.6 t -148.21 159.75 43.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.8 p -149.2 142.2 24.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . . . -142.55 -175.04 4.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -132.12 127.43 35.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD21 HG21 ' A' ' 25' ' ' VAL . 19.0 tp -111.88 104.48 12.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -93.86 126.37 39.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.656 HG21 ' OD2' ' A' ' 75' ' ' ASP . 54.8 t -108.33 130.28 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.107 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.19 166.68 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.7 mt -107.94 111.11 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.52 ' HG3' ' CG ' ' A' ' 20' ' ' TYR . 24.1 mtpt -52.7 -45.71 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.2 p -88.15 129.51 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -40.83 147.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.75 -37.91 8.56 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 100' ' ' PRO . 54.2 p -34.65 127.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -90.33 156.03 18.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.466 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 p -127.92 128.54 45.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -101.12 135.52 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.6 138.85 3.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -110.45 -51.79 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -89.04 166.92 13.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 -177.41 45.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.464 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD13 ' HB1' ' A' ' 36' ' ' ALA . 96.8 mt -113.55 128.93 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.2 mmt -108.17 134.05 51.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.32 100.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -64.16 -41.85 96.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -117.06 99.93 7.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -68.46 160.78 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.621 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 46.8 mt -63.79 152.87 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -122.28 136.01 54.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.91 132.74 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.2 m -128.42 144.96 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.8 m -129.21 106.61 8.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.58 -178.54 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -112.71 171.95 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 t -67.47 113.7 5.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.64 -30.54 9.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.0 160.05 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.33 124.66 40.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.74 HG23 ' HB2' ' A' ' 71' ' ' ALA . 43.5 t -95.93 136.89 25.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -130.96 117.04 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.62 HD12 HD23 ' A' ' 66' ' ' LEU . 34.5 mt -106.32 111.68 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -99.2 147.91 24.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.9 p -159.25 163.05 36.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -126.67 157.76 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 36' ' ' ALA . 2.6 m -129.7 -177.87 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 t -86.63 -28.79 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.64 140.33 51.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' CG ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -63.16 166.1 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.571 ' HA ' HG11 ' A' ' 59' ' ' VAL . 13.5 t0 35.78 51.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.668 ' O ' HG13 ' A' ' 38' ' ' VAL . . . -85.33 99.17 10.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -55.47 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.908 HG12 HG22 ' A' ' 83' ' ' THR . 12.6 m -84.62 160.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 43.4 mttt -118.18 110.79 18.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.504 ' CE3' HD22 ' A' ' 66' ' ' LEU . 67.1 m95 -85.98 120.36 27.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 49.3 m-85 -113.55 139.51 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 tttm -106.37 103.69 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.754 HD21 ' HB1' ' A' ' 77' ' ' ALA . 32.3 m120 65.51 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.67 -28.65 11.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.07 151.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -88.62 132.62 34.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -90.05 133.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.7 mm -122.7 90.07 49.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.796 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.5 Cg_endo -69.81 -165.64 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.348 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.14 -169.87 33.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -18.27 36.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.39 48.75 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -127.86 164.72 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -86.32 -42.38 13.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -79.83 136.24 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 8.5 mtt-85 -128.73 112.95 14.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.796 HD12 ' HG3' ' A' ' 49' ' ' PRO . 16.8 mt -97.96 110.73 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -109.51 147.85 32.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.939 HG22 ' CE1' ' A' ' 64' ' ' HIS . 72.7 t -116.9 105.37 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.5 -105.69 0.78 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -115.82 10.48 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -126.52 134.09 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.939 ' CE1' HG22 ' A' ' 59' ' ' VAL . 22.8 m-70 -95.96 159.95 14.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.15 118.33 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD23 HD12 ' A' ' 27' ' ' LEU . 14.0 tp -104.06 110.75 23.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -101.75 137.58 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.734 HG21 ' OD2' ' A' ' 75' ' ' ASP . 19.1 mt -119.99 104.68 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -70.55 106.6 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.99 78.52 1.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.51 93.29 7.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -87.08 168.48 13.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 72' ' ' THR . 9.7 mmmm -45.44 -32.52 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.72 -48.42 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.073 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.734 ' OD2' HG21 ' A' ' 68' ' ' ILE . 7.2 t0 -39.59 -38.65 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.932 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -57.51 95.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.754 ' HB1' HD21 ' A' ' 43' ' ' ASN . . . -149.69 169.93 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -76.6 103.1 6.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -91.29 113.05 25.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 m -120.3 134.86 55.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.493 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.8 m -99.53 164.46 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 ttm -143.33 123.7 13.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.908 HG22 HG12 ' A' ' 38' ' ' VAL . 63.3 p -112.99 -175.86 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.6 p -62.95 -27.27 69.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -153.29 42.96 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.79 163.71 36.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 88' ' ' SER . 27.7 tt0 -154.57 155.07 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 8.5 t -147.08 159.24 43.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.4 p -147.3 145.9 29.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.621 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -141.64 175.73 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -128.03 117.44 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 25' ' ' VAL . 34.8 tp -107.31 124.72 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -117.69 126.85 53.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.932 HG23 ' HB2' ' A' ' 76' ' ' ALA . 95.7 t -106.82 121.44 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.03 163.37 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.9 mt -93.34 110.15 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -77.75 144.2 37.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.9 p -80.4 95.64 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.15 -95.02 0.16 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 132.64 23.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 p -90.86 -44.54 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.9 t -90.05 -51.52 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -130.98 41.99 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.921 0.391 . . . . 0.0 110.851 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 t -162.28 151.67 15.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.32 -76.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -100.3 108.1 20.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -118.86 126.87 52.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.03 175.33 40.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.478 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.9 mt -100.05 135.31 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.5 mmt -113.39 138.46 50.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.92 100.49 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -67.09 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -119.46 97.72 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -62.76 155.2 27.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 16.8 mt -62.88 155.99 25.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -125.18 126.32 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -37.82 135.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' HD12 ' A' ' 92' ' ' LEU . 72.6 m -127.65 140.35 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -127.02 113.49 16.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.44 152.37 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -76.65 172.07 13.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 95' ' ' ASP . 49.0 t -68.85 119.75 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 100.76 -16.92 57.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -73.0 164.47 26.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 67' ' ' ILE . 5.9 ttm180 -99.99 122.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.662 HG23 ' HB2' ' A' ' 71' ' ' ALA . 59.8 t -93.48 139.96 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -133.08 121.07 22.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.504 HD12 HD23 ' A' ' 66' ' ' LEU . 52.4 mt -110.98 112.32 24.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 7.8 tt0 -100.2 149.98 23.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.485 ' HG ' ' HH2' ' A' ' 40' ' ' TRP . 1.1 p -164.1 160.96 22.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -124.04 160.78 26.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -131.37 178.01 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.7 t -79.31 -30.01 42.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 31' ' ' VAL . 49.6 mt-10 -103.76 164.97 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.05 156.76 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t70 39.75 49.97 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 179.0 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -129.22 92.4 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG12 HG22 ' A' ' 83' ' ' THR . 5.2 m -82.29 159.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 26.3 mttp -114.73 111.1 20.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.2 m95 -85.88 129.29 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 68.3 m-85 -124.15 132.26 53.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 25.2 tttm -82.88 97.53 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.456 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 10.2 p30 50.55 24.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.29 -34.02 3.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.8 146.48 48.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.49 120.95 28.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.2 mt -84.62 131.67 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.4 mm -120.87 90.09 46.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.567 0.698 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.4 Cg_endo -69.74 -174.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.248 . . . . 0.0 112.357 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 151.7 -169.97 31.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -24.99 29.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.266 . . . . 0.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -124.48 47.15 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.2 m -129.26 164.06 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -83.88 -43.95 14.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -84.32 143.27 29.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 14.1 mtp85 -135.2 110.12 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG12 HD13 ' A' ' 66' ' ' LEU . 51.6 mt -94.8 117.08 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -119.41 145.63 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.4 p -117.31 121.93 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -120.91 103.04 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.89 -107.01 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -119.2 18.82 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -135.21 141.81 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' ND1' HG22 ' A' ' 38' ' ' VAL . 18.1 m-70 -104.31 157.09 17.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -139.95 112.52 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD22 ' CE3' ' A' ' 40' ' ' TRP . 19.3 tp -98.56 104.08 16.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.65 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.4 143.57 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' ILE . 27.7 mt -126.92 101.4 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -69.77 110.38 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.5 87.51 0.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -90.85 91.55 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.605 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.5 p -89.25 163.98 15.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -46.39 -28.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -35.74 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.35 -15.65 49.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -68.03 93.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -149.76 163.93 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 43' ' ' ASN . 32.9 tt0 -76.37 103.96 6.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -86.43 113.72 22.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.2 m -119.69 135.47 54.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.5 m -99.33 158.68 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.5 ttm -135.67 127.09 28.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.661 HG22 HG12 ' A' ' 38' ' ' VAL . 59.6 p -118.28 -179.85 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.7 p -57.76 -31.35 66.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.32 42.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -167.9 162.26 36.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' A' ' 88' ' ' SER . 50.7 tt0 -153.96 156.13 36.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.471 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.7 t -147.8 160.17 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.1 p -138.98 147.43 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -149.96 141.25 23.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -98.76 126.39 44.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 25' ' ' VAL . 23.6 tp -110.35 117.0 32.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -105.8 130.17 53.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 72' ' ' THR . 78.6 t -105.62 136.87 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 21' ' ' CYS . 7.2 t0 -125.68 167.19 15.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 96' ' ' LEU . 12.6 mt -109.11 133.3 53.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 98' ' ' SER . 1.5 tmtp? -79.8 111.93 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 97' ' ' LYS . 16.0 m -113.99 81.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.18 -80.56 0.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 150.56 68.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.217 . . . . 0.0 112.309 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.0 m -50.62 93.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -151.46 129.14 11.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.543 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -59.65 137.87 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -63.98 135.22 56.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.67 103.31 2.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -69.13 98.45 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -71.69 -60.46 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.26 172.26 31.0 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' GLY . 96.9 mt -102.35 125.52 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' SER . 11.4 mmt -101.86 148.02 25.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.0 t -87.68 98.81 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -63.49 -41.02 98.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 31.5 tttp -117.68 112.33 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -78.24 157.7 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 47.3 mt -62.38 169.53 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -137.74 136.63 37.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.86 129.42 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 18' ' ' THR . 8.9 m -124.28 152.74 42.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 17' ' ' THR . 84.7 m -137.07 106.64 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.71 175.44 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 79.4 m-85 -104.2 160.74 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -60.41 108.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.83 -14.33 34.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.13 166.3 23.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' NE ' HG13 ' A' ' 67' ' ' ILE . 18.1 ttt180 -101.19 118.55 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 71' ' ' ALA . 21.2 t -93.25 140.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -133.86 109.05 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.742 HD12 HD23 ' A' ' 66' ' ' LEU . 29.3 mt -99.78 112.84 25.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' CD ' ' HE3' ' A' ' 63' ' ' LYS . 5.5 tt0 -102.1 150.27 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.3 p -161.42 169.86 21.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 37.5 mt-10 -134.61 151.41 51.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.4 m -123.26 -175.71 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' MET . 38.9 t -79.82 -42.18 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.709 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.2 mt-10 -99.52 172.47 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER -105.15 168.01 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 m-20 35.68 42.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.57 165.95 15.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -113.8 96.23 5.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.486 HG12 HG22 ' A' ' 83' ' ' THR . 3.0 m -88.83 156.11 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 31.5 mtpt -112.32 110.95 21.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CE3' HD22 ' A' ' 66' ' ' LEU . 72.8 m95 -85.92 132.33 34.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 39.7 m-85 -125.97 140.8 52.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 23.2 tttt -101.18 92.08 4.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 68.41 34.2 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.1 -28.83 14.1 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.2 144.91 37.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 41' ' ' PHE . 35.7 tt0 -81.71 132.64 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 60.7 mt -91.24 135.73 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -121.44 90.74 47.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.94 -166.96 29.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -29.53 23.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -119.6 42.7 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 72.4 m -126.68 143.54 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.522 ' NE ' ' CE2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -72.2 -24.71 61.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.522 ' CE2' ' NE ' ' A' ' 54' ' ' ARG . 83.4 m-85 -94.38 136.52 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 4.9 mtp180 -134.67 104.76 6.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -86.98 109.63 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -110.85 139.84 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.6 p -115.51 130.23 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -132.66 106.43 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.01 -110.24 3.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -114.98 14.91 17.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -132.3 136.18 46.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' C ' HD12 ' A' ' 65' ' ' ILE . 15.2 m-70 -103.1 159.8 15.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -141.63 107.73 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.901 HD22 ' CE3' ' A' ' 40' ' ' TRP . 40.7 tp -93.87 104.26 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.19 142.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.535 ' N ' HD13 ' A' ' 67' ' ' ILE . 62.1 mt -128.74 102.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.45 128.38 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.3 77.86 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.87 90.44 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.896 0.379 . . . . 0.0 111.079 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.652 ' O ' HG21 ' A' ' 94' ' ' VAL . 9.8 p -80.97 178.34 8.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 mptp? -58.25 -32.39 68.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.85 -29.85 68.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.687 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -65.04 89.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -143.98 171.71 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -76.85 100.63 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 81.5 m-85 -86.83 116.52 24.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.5 m -124.54 137.23 54.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.512 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.9 m -100.06 157.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.6 ttm -136.58 123.47 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 38' ' ' VAL . 80.3 p -115.57 -178.79 3.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.5 p -58.07 -34.36 70.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -148.81 45.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.61 159.72 32.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -153.16 150.68 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -146.48 158.9 43.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -144.27 151.16 39.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.633 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -140.87 -177.63 5.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -133.81 112.77 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.1 tp -106.53 124.08 49.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.0 t -117.35 127.52 54.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' A' ' 76' ' ' ALA . 88.7 t -104.03 132.41 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.07 167.37 17.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HG ' ' CE ' ' A' ' 73' ' ' LYS . 22.7 mt -101.4 119.63 39.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.444 ' HD2' ' CE2' ' A' ' 20' ' ' TYR . 39.8 tttp -86.65 105.08 16.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.3 m -108.83 104.38 13.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -151.78 164.68 30.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 96.7 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -57.82 143.17 43.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -92.98 -48.54 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.485 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -95.24 139.81 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.904 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 62.33 42.4 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.48 170.91 12.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -93.49 120.86 34.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.912 0.387 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -119.52 90.23 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.3 -172.05 18.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 63.5 mt -116.59 128.62 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.7 mmt -108.06 139.85 42.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.51 98.08 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -66.01 -48.88 69.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -104.52 103.94 13.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -71.84 160.53 32.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.707 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 81.8 mt -72.68 145.77 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -112.58 137.32 51.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.98 125.55 13.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.2 m -115.77 144.06 44.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.5 m -126.87 104.17 7.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.32 175.87 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -106.54 163.86 12.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.2 t -57.82 103.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.02 -22.47 16.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.92 165.53 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 67' ' ' ILE . 5.1 ttt85 -103.6 118.71 37.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 71' ' ' ALA . 53.3 t -93.46 140.85 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -133.43 103.06 5.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -93.95 110.21 21.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 15.3 tt0 -100.6 152.6 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 12.9 p -165.05 172.83 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -140.64 153.91 46.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLU . 24.1 m -125.89 179.32 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.7 t -79.49 -39.58 31.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 31' ' ' VAL . 21.5 mt-10 -91.21 172.46 8.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASP . 15.8 p30 -108.14 167.67 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' ASP . 12.4 m-20 34.67 36.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -79.15 166.1 22.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -121.3 91.99 3.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.729 HG12 HG22 ' A' ' 83' ' ' THR . 10.2 m -77.56 159.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 39.5 mtmt -115.09 110.99 20.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.665 ' CG ' HD12 ' A' ' 66' ' ' LEU . 56.9 m95 -86.34 133.48 33.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.5 m-85 -126.35 139.51 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -104.74 91.19 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 73.78 25.91 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.38 -35.01 4.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.27 148.21 37.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.2 141.96 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.9 mt -97.21 128.23 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.63 89.56 28.37 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.636 0.732 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 178.04 4.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.36 -173.41 41.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -0.15 6.48 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -132.64 -37.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.5 m -47.27 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -86.77 -45.37 10.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.95 151.69 31.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 22.9 mtp180 -140.75 115.64 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.5 mt -97.43 112.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -107.49 144.09 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -113.09 122.3 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 24.4 mm-40 -131.41 113.92 14.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.89 -117.1 6.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -111.01 19.37 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -131.2 146.92 52.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' C ' HD12 ' A' ' 65' ' ' ILE . 23.5 m-70 -113.42 152.53 29.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -143.26 108.58 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.665 HD12 ' CG ' ' A' ' 40' ' ' TRP . 9.2 tt -95.41 111.15 23.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.79 142.49 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.848 ' N ' HD13 ' A' ' 67' ' ' ILE . 42.1 mt -123.38 109.48 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -79.72 103.53 9.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 82.2 1.23 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.52 90.03 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 111.085 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.417 ' C ' HG11 ' A' ' 94' ' ' VAL . 76.9 p -82.95 170.77 14.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -48.87 -44.89 40.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.23 86.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -46.65 -31.19 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -59.9 96.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.93 170.5 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.71 100.8 5.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -87.61 114.41 24.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.1 m -123.44 139.91 53.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 14' ' ' LEU . 2.4 m -100.98 164.4 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.8 ttm -144.42 124.0 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.729 HG22 HG12 ' A' ' 38' ' ' VAL . 64.7 p -113.8 -174.92 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.0 p -61.35 -30.48 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.47 45.26 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.512 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.34 163.92 36.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -154.57 152.63 30.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -143.35 157.72 44.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 p -138.39 152.77 48.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.707 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -151.55 156.39 40.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -112.0 123.79 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 25' ' ' VAL . 21.8 tp -110.82 111.69 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 m -101.48 119.94 39.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' A' ' 76' ' ' ALA . 97.3 t -104.47 121.37 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.56 167.14 11.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.92 117.94 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -55.88 143.7 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -80.46 123.51 28.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 151.36 -157.3 27.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 106.93 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 102' ' ' SER . 13.1 t -112.3 139.26 47.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 101' ' ' SER . 70.0 p -35.77 -42.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -120.81 90.09 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -50.22 -44.2 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.58 84.56 0.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -77.71 159.87 28.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -87.48 93.48 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.45 165.84 14.23 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 70.0 mt -97.71 126.31 50.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -106.83 134.44 49.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -77.72 101.65 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 p -67.83 -46.06 72.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -112.04 95.56 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -62.79 155.97 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD11 HG13 ' A' ' 81' ' ' VAL . 11.3 mt -62.17 147.88 46.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -115.11 132.86 56.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.74 126.91 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.5 m -116.99 141.09 48.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.2 m -120.56 103.33 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.66 175.28 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' HB2' ' CG ' ' A' ' 23' ' ' GLU . 3.8 m-85 -105.7 178.98 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.667 ' SG ' HD23 ' A' ' 96' ' ' LEU . 7.9 p -70.1 127.3 32.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.8 -15.84 13.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 20' ' ' TYR . 19.1 mm-40 -61.38 172.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -103.54 124.66 49.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.658 HG21 HD21 ' A' ' 92' ' ' LEU . 40.1 t -105.04 134.18 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.48 106.33 8.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 66' ' ' LEU . 60.4 mt -97.6 110.68 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -100.92 149.1 24.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 12.5 p -161.27 167.6 25.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -130.82 158.73 39.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 33' ' ' GLU . 9.6 m -130.14 -177.9 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.1 t -80.87 -40.38 24.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.3 mm-40 -91.98 172.72 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' ASP . 13.1 p-10 -107.62 157.77 17.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.2 t70 38.21 45.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.69 -179.79 7.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -128.84 89.62 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG12 HG22 ' A' ' 83' ' ' THR . 3.9 m -81.01 153.7 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 62.4 mttt -109.01 112.94 25.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.664 ' CE3' HD22 ' A' ' 66' ' ' LEU . 65.4 m95 -87.43 130.11 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 52.0 m-85 -126.31 130.12 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.581 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -81.95 99.0 8.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.547 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 10.5 p30 50.96 26.08 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.58 -30.59 6.12 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -72.6 130.95 41.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.85 117.55 13.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -84.3 136.21 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 5.4 mp -122.19 94.59 47.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.956 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.4 Cg_endo -69.77 178.96 4.05 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.39 -174.12 37.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -27.73 26.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.88 -21.69 12.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -56.46 172.84 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.11 -29.19 12.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -93.69 135.14 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 2.2 mpt_? -123.86 122.84 39.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.956 HD12 ' HG3' ' A' ' 49' ' ' PRO . 26.4 mt -107.12 107.63 23.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.7 ttm105 -111.08 139.78 46.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.2 p -114.19 122.1 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -119.42 106.2 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.22 -106.49 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.549 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -117.31 18.43 14.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -136.03 139.5 43.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.456 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.1 m-70 -104.61 162.54 13.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -144.51 113.14 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.664 HD22 ' CE3' ' A' ' 40' ' ' TRP . 16.3 tp -98.5 107.1 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 1.049 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -97.04 148.66 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.049 ' N ' HD13 ' A' ' 67' ' ' ILE . 17.9 mt -133.08 105.65 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' OE2' ' NH1' ' A' ' 56' ' ' ARG . 30.8 mt-10 -77.08 102.34 6.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.93 71.07 1.08 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.499 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.82 95.16 5.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -86.76 169.95 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 72' ' ' THR . 20.5 mmtt -52.04 -50.93 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.01 71.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 17.7 m-20 -48.76 -34.45 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.729 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -50.27 89.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 43' ' ' ASN . . . -144.57 168.46 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' ASN . 34.2 tt0 -77.61 103.97 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 64.8 m-85 -86.39 115.12 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.5 m -121.32 139.27 53.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.785 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -101.09 163.85 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.7 ttm -141.1 130.67 23.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.535 HG22 HG12 ' A' ' 38' ' ' VAL . 72.1 p -123.52 -178.99 4.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.4 p -57.29 -31.42 65.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.13 46.58 0.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -171.16 161.14 33.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 88' ' ' SER . 37.6 tt0 -153.31 156.29 38.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.329 . . . . 0.0 110.921 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.463 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 7.8 t -148.18 159.11 44.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.0 p -141.57 146.79 36.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.589 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -148.51 143.94 27.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.5 mtpm? -101.18 125.57 47.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.658 HD21 HG21 ' A' ' 25' ' ' VAL . 33.7 tp -111.07 106.78 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -94.4 109.1 20.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' A' ' 76' ' ' ALA . 39.9 t -89.61 124.66 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' CYS . 9.9 t0 -106.92 165.98 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.667 HD23 ' SG ' ' A' ' 21' ' ' CYS . 12.3 mt -113.23 112.22 23.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -47.13 141.05 4.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.7 t -113.98 159.55 19.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 121.43 -160.23 15.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -1.5 8.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.4 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.8 t -43.25 138.6 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 t -64.2 87.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -50.47 112.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.827 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 t -46.07 -51.73 13.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.36 -131.53 4.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -133.4 131.35 39.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 0.0 110.854 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.56 113.97 27.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 171.3 34.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.5 mt -105.81 126.54 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.8 mmt -105.24 138.17 41.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.5 t -79.34 99.87 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.7 p -65.26 -45.63 83.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 42.5 tttp -109.44 94.38 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -67.11 154.35 41.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD11 HG13 ' A' ' 81' ' ' VAL . 21.6 mt -62.62 157.77 19.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.8 134.66 47.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.28 139.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.5 m -140.07 138.51 35.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 m -121.31 108.69 14.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.96 175.95 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 45.3 m-85 -105.27 172.83 6.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.563 ' SG ' HD23 ' A' ' 96' ' ' LEU . 19.5 p -67.61 116.99 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.91 -21.87 41.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 20' ' ' TYR . 26.8 mt-10 -58.79 168.09 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' NH2' ' CD ' ' A' ' 26' ' ' GLU . 26.1 ttt180 -104.35 119.51 39.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 71' ' ' ALA . 26.3 t -95.04 138.04 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' CD ' ' NH2' ' A' ' 24' ' ' ARG . 10.4 mt-10 -133.28 109.25 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD12 HD23 ' A' ' 66' ' ' LEU . 54.1 mt -99.62 112.32 24.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 63' ' ' LYS . 5.4 tt0 -100.38 152.18 20.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -163.21 170.72 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 18.4 mt-10 -137.56 158.0 45.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 8' ' ' ILE . 13.2 m -128.12 -176.09 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -85.05 -32.41 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 31' ' ' VAL . 15.5 mm-40 -96.67 -179.85 4.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.19 153.49 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 38.91 44.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.42 -178.12 6.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -126.54 87.8 2.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 83' ' ' THR . 3.4 m -79.29 153.15 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -110.51 110.94 21.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.741 ' CE3' HD22 ' A' ' 66' ' ' LEU . 76.4 m95 -87.35 129.46 35.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -122.67 140.79 52.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -108.54 92.48 4.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 74.47 26.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -28.41 13.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.41 144.97 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -83.57 122.03 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.17 134.02 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.7 mm -122.48 90.24 49.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 111.137 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.706 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.73 -170.39 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.26 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 154.41 -167.83 32.52 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.44 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -20.19 35.05 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -131.5 45.42 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.8 m -122.57 161.89 22.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -80.76 -46.43 15.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -83.39 147.55 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' CZ ' ' OE2' ' A' ' 69' ' ' GLU . 17.4 mtt180 -137.17 108.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.706 HD12 ' HG3' ' A' ' 49' ' ' PRO . 19.2 mt -89.55 113.07 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -105.04 155.12 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 64' ' ' HIS . 95.3 t -125.9 114.15 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -123.2 102.33 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.45 -113.48 5.86 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -112.87 19.04 17.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HE2' ' CD ' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -132.6 137.96 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.502 ' CE1' HG22 ' A' ' 59' ' ' VAL . 21.1 m-70 -105.75 155.48 19.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.9 mp -138.8 110.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.741 HD22 ' CE3' ' A' ' 40' ' ' TRP . 21.4 tp -95.37 103.71 15.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.981 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -91.92 149.57 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.981 ' N ' HD13 ' A' ' 67' ' ' ILE . 34.0 mt -131.77 101.05 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' OE2' ' CZ ' ' A' ' 56' ' ' ARG . 43.2 mt-10 -67.85 103.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.88 90.8 0.9 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.621 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -91.93 91.87 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -87.03 175.07 8.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -53.57 -38.84 64.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.99 -36.37 82.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.3 -28.8 65.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 92.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.92 169.79 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.41 105.42 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -87.1 112.87 22.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.6 m -123.6 135.15 53.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 14' ' ' LEU . 2.1 m -100.45 165.32 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.4 ttp -147.34 121.01 9.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 HG12 ' A' ' 38' ' ' VAL . 81.5 p -113.75 -175.44 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 73.8 p -57.39 -33.8 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -151.01 45.81 0.63 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.14 159.78 33.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -153.09 150.1 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 t -143.47 161.87 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 p -146.39 146.42 30.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.57 144.19 25.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -97.8 128.96 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 25' ' ' VAL . 29.9 tp -114.38 108.57 17.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -98.82 112.88 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.55 120.62 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -108.68 148.23 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.563 HD23 ' SG ' ' A' ' 21' ' ' CYS . 17.2 mt -88.4 114.33 24.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 3.7 ttpm? -94.07 149.8 20.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.3 t -116.66 100.71 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.25 -158.15 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -25.7 28.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.38 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -43.18 134.6 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.6 t -74.21 122.86 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.0 m -67.4 129.39 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -42.13 147.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.83 168.86 28.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 m -79.37 171.91 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 m -63.12 92.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.88 167.89 53.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.428 HD13 ' HB1' ' A' ' 36' ' ' ALA . 93.9 mt -104.77 119.95 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.458 ' HE2' ' O ' ' A' ' 85' ' ' GLY . 7.2 mmt -100.57 139.1 36.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.21 100.61 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.1 p -65.65 -39.59 91.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 48.5 tttp -118.26 100.61 7.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -62.76 154.16 30.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.963 HD11 HG13 ' A' ' 81' ' ' VAL . 31.8 mt -61.54 157.89 16.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -123.96 133.25 53.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.88 136.48 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 HG21 HG13 ' A' ' 25' ' ' VAL . 89.2 m -125.94 148.86 49.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -126.68 107.54 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -116.83 175.25 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 95' ' ' ASP . 31.0 m-85 -112.85 176.4 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -70.93 106.93 3.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.23 -3.13 35.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -86.97 164.58 16.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -104.71 119.87 40.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HB ' HD12 ' A' ' 68' ' ' ILE . 41.1 t -93.71 141.49 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -131.7 111.32 11.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.7 mt -101.4 112.34 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -100.49 147.49 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.7 p -159.54 162.61 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.8 mt-10 -125.39 154.53 41.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.7 m -128.21 171.73 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.5 t -71.96 -35.12 69.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 31' ' ' VAL . 12.8 mt-10 -98.15 169.82 9.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -104.64 155.37 18.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 41.5 32.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HB1' HD13 ' A' ' 8' ' ' ILE . . . -70.38 174.29 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -121.13 91.53 3.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.649 HG13 ' CE1' ' A' ' 64' ' ' HIS . 2.0 m -85.01 160.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 42.0 mtmt -116.6 115.23 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CE3' HD22 ' A' ' 66' ' ' LEU . 66.9 m95 -89.25 131.55 35.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 42.8 m-85 -125.42 138.3 54.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.0 ttpt -103.55 91.36 4.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' HB2' ' HB1' ' A' ' 77' ' ' ALA . 7.4 t-20 71.62 34.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.46 -30.2 10.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -72.37 150.58 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -91.22 128.06 36.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.7 mt -89.98 135.42 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 29.6 mm -124.69 94.86 43.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.9 Cg_endo -69.74 -170.51 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.27 -167.72 28.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 126.59 13.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? 65.01 39.15 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -111.31 161.72 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -76.27 -45.79 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.43 137.59 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 16.2 mtp85 -135.51 107.77 7.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.778 HD12 ' HG3' ' A' ' 49' ' ' PRO . 25.7 mt -90.17 112.65 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -108.02 148.76 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.84 115.98 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -122.18 107.77 12.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.32 -111.18 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -116.45 16.74 15.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -131.76 135.23 46.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.758 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.4 m-70 -97.24 165.97 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.8 mp -149.75 111.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 ' CE3' ' A' ' 40' ' ' TRP . 45.4 tp -97.0 105.21 17.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.675 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -94.73 140.33 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 67' ' ' ILE . 8.9 mt -122.25 121.31 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -88.89 104.71 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.48 79.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -81.17 104.95 12.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.476 ' O ' HG21 ' A' ' 94' ' ' VAL . 33.1 p -108.73 168.35 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -35.04 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.96 -40.75 91.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.08 -21.0 64.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.807 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.85 90.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 43' ' ' ASN . . . -149.74 172.07 15.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -76.05 107.46 8.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 54.3 m-85 -86.27 112.32 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.7 m -120.83 133.77 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.963 HG13 HD11 ' A' ' 14' ' ' LEU . 1.7 m -99.73 157.3 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -134.46 131.84 38.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -123.65 175.41 6.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.3 p -63.12 -7.02 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' HE2' ' A' ' 9' ' ' MET . . . -170.26 42.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.55 158.29 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -152.46 145.26 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -138.46 162.91 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -143.73 150.57 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.04 159.73 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -110.05 139.4 45.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.477 HD21 HG21 ' A' ' 25' ' ' VAL . 29.4 tp -128.16 118.79 24.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m -105.0 141.18 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.807 HG23 ' HB2' ' A' ' 76' ' ' ALA . 36.4 t -118.49 121.45 67.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.58 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 3.7 t0 -110.32 167.66 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.0 mt -105.91 124.12 49.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -90.66 88.4 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 39.5 m -153.74 106.74 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -175.78 -171.0 39.25 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 176.08 7.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.8 p -130.2 115.29 16.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.4 p -53.15 163.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -160.9 168.02 25.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -87.98 60.42 5.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.71 119.97 20.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -81.66 88.03 6.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.904 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -71.19 146.54 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 174.89 36.58 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' N ' ' OG1' ' A' ' 84' ' ' THR . 95.2 mt -115.18 130.67 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.111 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mmt -109.64 135.06 51.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 p -77.7 101.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 p -65.1 -51.94 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -95.05 98.37 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -63.14 157.9 21.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.017 HD11 HG13 ' A' ' 81' ' ' VAL . 37.3 mt -71.3 136.31 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -103.66 149.17 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 130.89 47.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 m -119.48 151.47 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.3 m -130.08 103.62 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.31 178.43 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' C ' ' OE1' ' A' ' 23' ' ' GLU . 56.3 m-85 -110.24 161.12 15.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.47 114.79 2.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.62 -35.23 5.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' OE1' ' C ' ' A' ' 20' ' ' TYR . 10.4 mp0 -56.43 164.65 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -97.96 126.69 43.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.642 ' HB ' HD12 ' A' ' 68' ' ' ILE . 63.9 t -95.95 133.42 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -130.06 110.75 11.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 mt -101.54 119.88 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 8.3 tt0 -101.4 145.42 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.97 163.01 39.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -128.74 156.04 44.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 33' ' ' GLU . 15.5 m -127.01 171.63 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -70.08 -33.34 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.5 mm-40 -102.82 174.49 5.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' ASP . 2.8 p30 -107.0 161.07 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.6 t70 37.44 46.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.47 169.25 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -117.53 92.99 3.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.781 HG12 HG22 ' A' ' 83' ' ' THR . 3.1 m -82.19 160.34 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.0 mppt? -117.66 111.81 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 66' ' ' LEU . 56.7 m95 -86.89 137.36 32.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 43.5 m-85 -129.11 137.81 51.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HZ1' ' HA ' ' A' ' 75' ' ' ASP . 4.9 tttp -100.35 99.58 10.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.582 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.8 m-20 63.85 29.53 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.98 -30.94 8.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -75.02 146.63 41.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -81.89 131.55 35.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.1 mt -90.39 136.28 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mm -124.03 90.32 50.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.593 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.2 Cg_endo -69.75 177.56 5.45 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.297 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.84 -167.31 35.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -31.13 21.08 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.1 -39.71 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.2 m -48.44 161.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -87.48 -36.84 17.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' C ' ' HG3' ' A' ' 56' ' ' ARG . 52.0 m-85 -82.46 147.47 28.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 15.5 mtt85 -142.17 110.55 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.593 HD12 ' HG3' ' A' ' 49' ' ' PRO . 29.9 mt -85.89 108.6 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -99.0 141.97 31.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.5 t -112.43 119.22 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.18 102.32 6.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.17 -121.25 25.83 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.78 12.34 36.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.4 ptpp? -128.53 143.82 51.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' C ' HD12 ' A' ' 65' ' ' ILE . 18.5 m-70 -105.35 163.15 12.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.485 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.2 mp -145.75 112.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.692 HD22 ' CE3' ' A' ' 40' ' ' TRP . 38.3 tp -95.35 110.91 22.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 67' ' ' ILE . 0.0 OUTLIER -99.26 140.3 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.642 HD12 ' HB ' ' A' ' 25' ' ' VAL . 13.9 mt -124.7 101.94 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HG3' HD11 ' A' ' 67' ' ' ILE . 20.7 mt-10 -69.7 104.87 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.55 81.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.62 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.61 92.09 8.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -86.49 167.75 14.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 8.2 mmmm -51.5 -28.53 13.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.44 ' HA ' ' HZ1' ' A' ' 42' ' ' LYS . 0.6 OUTLIER -55.15 -37.79 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -47.82 94.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.99 169.09 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.22 104.05 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 88.1 m-85 -89.25 111.62 22.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.7 m -119.91 134.83 55.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.017 HG13 HD11 ' A' ' 14' ' ' LEU . 1.8 m -100.03 162.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.0 ttp -146.35 106.06 3.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.781 HG22 HG12 ' A' ' 38' ' ' VAL . 82.8 p -92.23 -179.05 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 8' ' ' ILE . 49.7 p -48.72 -32.68 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -152.3 30.12 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.76 27.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -154.65 143.2 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.945 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 t -144.69 161.82 38.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 36.5 p -143.38 141.63 30.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 14' ' ' LEU . . . -137.22 169.18 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -123.08 122.85 39.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.63 HD21 HG21 ' A' ' 25' ' ' VAL . 16.0 tp -107.45 132.68 52.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 m -119.29 128.74 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 76' ' ' ALA . 60.9 t -113.4 127.65 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -122.13 159.01 28.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.8 104.75 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 136.97 57.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -172.25 143.99 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -103.99 -152.44 22.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 87.65 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 t 60.74 38.43 18.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.9 t -93.91 -47.81 6.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 3' ' ' SER . 46.6 p -104.73 -27.87 11.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' SER . 28.4 m 34.94 52.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.59 145.4 18.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -105.02 38.3 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -46.42 -42.5 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.71 169.4 13.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLY . 93.6 mt -106.84 130.24 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.176 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 10.9 mmt -108.9 135.52 49.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.2 t -76.6 99.48 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.3 p -65.35 -43.08 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -116.41 99.53 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.63 170.25 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 72.8 mt -77.45 150.24 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -116.34 138.03 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.1 121.94 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 92' ' ' LEU . 51.6 m -116.42 143.21 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.3 m -121.76 112.83 18.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.59 167.08 12.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.44 ' CE2' ' HD3' ' A' ' 97' ' ' LYS . 74.9 m-85 -102.15 164.62 11.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.9 t -59.48 102.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.51 -16.37 29.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.5 166.84 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HE ' HD11 ' A' ' 67' ' ' ILE . 22.2 ttt180 -99.32 118.22 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 71' ' ' ALA . 17.9 t -93.36 134.49 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -133.97 105.08 6.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.741 HD12 HD23 ' A' ' 66' ' ' LEU . 37.4 mt -100.21 114.98 28.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -102.13 152.17 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.7 p -161.02 160.89 31.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -128.3 150.47 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 33' ' ' GLU . 14.1 m -124.46 -176.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.4 t -82.63 -41.9 18.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.5 mm-40 -91.74 171.76 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -105.27 163.16 12.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.7 t0 34.76 39.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.66 -178.47 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -132.1 89.97 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.8 HG12 HG22 ' A' ' 83' ' ' THR . 6.3 m -83.6 158.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.7 mttm -115.03 110.85 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CE3' HD22 ' A' ' 66' ' ' LEU . 68.5 m95 -85.04 127.68 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 46.8 m-85 -122.61 139.22 54.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -103.05 99.82 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.551 ' CG ' ' HB1' ' A' ' 77' ' ' ALA . 29.0 m-20 63.7 25.91 14.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.96 -30.95 7.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.58 149.88 38.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -89.49 131.75 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.7 mt -86.05 140.63 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -126.22 90.41 50.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.724 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.7 Cg_endo -69.76 -175.2 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 150.13 -170.5 30.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -27.82 26.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -117.77 50.57 1.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.6 m -137.92 172.63 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mmt-85 -96.4 -41.13 8.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -82.6 139.37 33.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HB2' ' CG2' ' A' ' 67' ' ' ILE . 3.0 mtp180 -134.78 104.94 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 49' ' ' PRO . 18.5 mt -82.95 124.97 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -124.42 134.41 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 64' ' ' HIS . 71.0 t -106.2 110.78 32.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.22 97.81 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.05 -104.17 0.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -111.95 7.93 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.6 136.59 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 59' ' ' VAL . 8.3 m170 -103.27 163.83 12.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.0 mp -143.77 108.6 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.741 HD23 HD12 ' A' ' 27' ' ' LEU . 16.2 tp -89.19 98.92 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.518 HD11 ' HE ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -90.09 129.72 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.5 mt -121.47 102.87 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.0 129.39 37.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.45 76.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.644 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -82.46 110.67 17.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 75' ' ' ASP . 22.0 p -104.99 163.49 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -40.04 -40.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.22 94.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' THR . 4.9 m-20 -55.72 -32.2 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.013 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -63.65 90.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' HB1' ' CG ' ' A' ' 43' ' ' ASN . . . -147.17 170.67 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -77.29 99.92 5.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -86.66 113.22 22.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m -116.84 135.87 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.513 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.0 m -100.69 158.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 ttm -137.27 129.13 28.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.8 HG22 HG12 ' A' ' 38' ' ' VAL . 61.4 p -121.13 -177.97 3.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 75.5 p -55.49 -36.21 66.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -149.1 48.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.551 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.51 162.17 32.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -154.42 149.1 26.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.9 t -136.42 161.96 34.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.6 p -149.35 146.42 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -144.61 173.78 11.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.8 mttm -127.01 113.38 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 17' ' ' THR . 28.8 tp -102.98 124.83 49.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -112.44 132.25 55.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 1.013 HG23 ' HB2' ' A' ' 76' ' ' ALA . 86.0 t -110.94 124.05 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -122.58 167.3 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.46 109.17 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 22.6 tptp -68.54 140.1 55.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -170.93 124.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.02 -157.87 7.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 2.81 3.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -97.64 111.56 23.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.3 t -104.25 154.39 19.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -53.46 176.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -72.0 111.69 7.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.73 -81.94 0.29 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -162.3 177.38 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -104.96 116.41 31.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.41 169.38 35.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 31' ' ' VAL . 96.4 mt -101.28 133.84 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.167 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.0 mmt -107.49 139.0 42.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.67 99.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -65.5 -37.06 85.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 36.5 tttp -118.91 119.8 35.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.93 148.08 24.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 23.0 mt -56.22 144.55 29.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -111.28 135.54 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 1.4 t0 -44.17 129.43 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.471 HG21 HG13 ' A' ' 25' ' ' VAL . 90.8 m -121.34 138.14 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 93.0 m -121.51 102.85 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.31 173.25 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.04 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' CD1' ' HB2' ' A' ' 97' ' ' LYS . 93.3 m-85 -105.56 156.49 18.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.5 t -55.02 105.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.89 -21.38 20.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.7 172.76 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 110.947 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' HD11 ' A' ' 67' ' ' ILE . 8.3 ttm180 -106.87 121.69 44.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.553 HG21 HD21 ' A' ' 92' ' ' LEU . 68.2 t -93.34 144.18 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -133.56 104.09 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 66' ' ' LEU . 44.5 mt -95.22 110.78 22.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 29' ' ' CYS . 27.1 tt0 -100.31 154.52 18.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 28' ' ' GLU . 31.3 p -167.59 173.68 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 13.5 mt-10 -140.34 160.09 40.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 33' ' ' GLU . 29.1 m -130.24 -178.45 2.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 t -81.81 -38.54 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 31' ' ' VAL . 34.7 mt-10 -94.4 175.11 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.8 p30 -108.68 165.66 11.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.2 m-20 34.48 38.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.54 173.01 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.8 96.15 4.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.694 HG12 HG22 ' A' ' 83' ' ' THR . 5.4 m -83.9 155.04 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 1.7 mppt? -110.81 111.02 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.507 ' CE3' HD22 ' A' ' 66' ' ' LEU . 78.5 m95 -84.83 132.96 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 39' ' ' LYS . 47.2 m-85 -128.73 135.3 49.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 42.9 tttt -96.7 99.39 10.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.56 ' ND2' ' HB1' ' A' ' 77' ' ' ALA . 28.9 m-20 63.89 26.2 14.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.63 -33.75 5.62 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.0 148.17 40.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -82.93 138.86 33.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.7 134.86 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.8 mm -117.52 92.78 41.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.92 ' HG3' HD12 ' A' ' 57' ' ' ILE . 53.8 Cg_endo -69.81 -171.18 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.21 -168.96 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.66 -45.73 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -96.89 30.21 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' A' ' 54' ' ' ARG . 1.4 t -109.54 174.72 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' N ' ' OG ' ' A' ' 53' ' ' SER . 1.5 mpp_? -102.66 -29.67 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -95.53 151.73 19.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.5 mtp85 -139.22 107.68 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.92 HD12 ' HG3' ' A' ' 49' ' ' PRO . 14.3 mt -92.62 110.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 19.6 ttm180 -106.07 147.68 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 95.6 t -116.0 119.04 60.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 35.7 mm-40 -128.69 112.26 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.34 -115.83 7.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -114.13 16.49 18.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -128.3 146.99 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 38' ' ' VAL . 16.8 m-70 -112.83 152.87 28.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 64' ' ' HIS . 5.1 mp -139.89 107.68 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD23 HD12 ' A' ' 27' ' ' LEU . 18.3 tp -93.29 106.35 18.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.745 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -95.08 133.3 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.745 ' N ' HD13 ' A' ' 67' ' ' ILE . 18.3 mt -115.23 114.62 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -83.54 105.17 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.49 77.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -86.06 91.25 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 94' ' ' VAL . 8.3 p -81.25 172.19 13.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -51.53 -46.28 63.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.77 84.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -43.54 -38.82 3.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.903 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -49.15 96.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' ' ND2' ' A' ' 43' ' ' ASN . . . -149.58 165.9 30.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -76.93 103.54 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 42' ' ' LYS . 88.0 m-85 -86.63 111.65 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 m -117.26 135.81 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.489 HG12 ' CE3' ' A' ' 40' ' ' TRP . 2.9 m -99.62 165.3 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 ttm -146.5 113.92 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.694 HG22 HG12 ' A' ' 38' ' ' VAL . 61.5 p -103.31 -179.3 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 64.4 p -55.44 -30.49 60.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' ILE . . . -152.25 43.75 0.65 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.83 163.86 37.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -154.43 150.0 27.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.431 ' HB3' HG22 ' A' ' 81' ' ' VAL . 13.4 t -144.86 160.75 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 m -146.15 147.69 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -143.91 161.17 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -112.88 122.7 48.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.553 HD21 HG21 ' A' ' 25' ' ' VAL . 21.6 tp -112.76 118.98 36.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.9 t -110.38 129.72 55.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.903 HG23 ' HB2' ' A' ' 76' ' ' ALA . 64.1 t -107.17 119.84 57.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -110.65 147.44 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.5 mt -85.32 105.79 16.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.485 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 58.6 tttm -83.47 -62.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.5 m -135.85 173.59 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -150.55 -90.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.21 35.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.688 2.258 . . . . 0.0 112.341 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 m -66.17 98.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.4 p -44.53 159.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.527 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -85.9 100.74 12.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -94.13 101.13 13.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.79 106.37 0.45 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.426 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -44.71 132.02 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -127.8 150.91 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.5 172.57 18.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 97.3 mt -112.4 134.38 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.0 mmt -107.18 151.38 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.7 t -89.71 99.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 p -66.02 -48.94 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 78.7 tttt -107.26 97.85 7.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -68.4 156.46 37.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.566 ' CB ' ' HB2' ' A' ' 90' ' ' ALA . 21.6 mt -64.82 152.84 41.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -121.8 130.52 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.87 134.86 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.7 m -130.68 143.32 50.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.6 m -121.39 105.76 10.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.27 -178.44 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' C ' HG13 ' A' ' 94' ' ' VAL . 68.2 m-85 -111.63 159.85 17.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.97 114.95 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.22 -27.65 19.62 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.6 167.0 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -93.88 125.94 38.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.735 HG23 ' HB2' ' A' ' 71' ' ' ALA . 61.4 t -103.76 129.75 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -131.49 114.97 15.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 mt -103.87 117.51 34.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' CG ' ' HD3' ' A' ' 63' ' ' LYS . 9.3 tt0 -99.45 150.72 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 21.6 p -163.12 161.89 25.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 12' ' ' LYS . 11.6 mt-10 -126.91 162.21 26.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 33' ' ' GLU . 2.5 m -129.39 -176.78 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.6 t -86.61 -22.07 26.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.6 mp0 -123.66 158.03 32.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 1.7 p30 -92.36 178.38 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.6 m-20 34.94 39.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.93 155.12 17.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -111.61 98.99 7.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG12 HG22 ' A' ' 83' ' ' THR . 2.9 m -85.77 157.15 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 10.3 mmtm -112.92 114.04 26.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.78 ' CE3' HD22 ' A' ' 66' ' ' LEU . 74.5 m95 -90.11 135.87 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 39' ' ' LYS . 56.0 m-85 -127.67 144.19 51.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -101.06 94.73 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.95 30.22 18.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.56 -27.18 12.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.16 153.53 31.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -86.71 131.14 34.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.5 mt -91.3 138.1 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.9 mp -124.2 90.15 51.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HG3' HD12 ' A' ' 57' ' ' ILE . 54.1 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.32 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.75 -167.97 33.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.13 9.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.0 mttm -94.66 -38.68 10.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -49.12 161.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -89.87 -37.31 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -80.14 138.08 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -133.53 108.71 8.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.791 HD12 ' HG3' ' A' ' 49' ' ' PRO . 21.3 mt -88.87 109.13 19.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -104.0 150.53 24.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.466 HG22 ' CE1' ' A' ' 64' ' ' HIS . 93.3 t -118.75 118.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.45 101.23 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.99 -111.19 3.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.438 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -113.46 12.98 18.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG ' ' A' ' 28' ' ' GLU . 6.2 ptpp? -127.82 143.99 51.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.466 ' CE1' HG22 ' A' ' 59' ' ' VAL . 25.3 m-70 -108.45 159.6 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 64' ' ' HIS . 4.9 mp -141.27 113.58 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.78 HD22 ' CE3' ' A' ' 40' ' ' TRP . 49.5 tp -96.61 98.77 10.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -88.98 140.25 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.713 HG21 ' OD2' ' A' ' 75' ' ' ASP . 31.5 mt -123.68 102.81 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -68.55 109.46 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.13 76.71 0.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -79.95 91.02 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.13 163.65 22.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -39.91 -38.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.01 76.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.713 ' OD2' HG21 ' A' ' 68' ' ' ILE . 6.7 t0 -41.12 -32.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.845 ' HB2' HG23 ' A' ' 94' ' ' VAL . . . -61.63 93.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.75 170.25 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.53 100.54 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -87.03 113.5 22.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.5 m -123.56 135.03 53.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.548 HG12 ' CE3' ' A' ' 40' ' ' TRP . 1.7 m -99.55 168.01 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ttm -146.99 120.38 9.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.549 HG22 HG12 ' A' ' 38' ' ' VAL . 36.8 p -108.63 -175.36 2.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.7 p -56.76 -34.35 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -150.43 40.68 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.8 164.92 35.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.402 ' HG2' ' N ' ' A' ' 88' ' ' SER . 30.2 tt0 -154.75 155.52 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 87' ' ' GLN . 23.2 t -148.21 158.23 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.4 p -138.91 149.76 45.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.566 ' HB2' ' CB ' ' A' ' 14' ' ' LEU . . . -150.98 146.44 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -105.58 125.1 50.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 25' ' ' VAL . 13.3 tp -114.32 130.51 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 m -121.44 128.77 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.845 HG23 ' HB2' ' A' ' 76' ' ' ALA . 47.1 t -108.69 132.63 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -128.56 158.2 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 22.9 mt -90.94 106.97 18.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -67.14 165.52 15.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 t -75.72 67.46 2.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 126.28 83.61 0.49 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -2.2 9.74 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.5 m -42.48 159.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 90.0 p -40.48 -46.19 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.989 . . . . . . . . 0 0 . 1 stop_ save_