data_2eh0_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 2eh0 _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 ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 117.37 5.05 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 27' ' ' TYR . 24.3 p-80 -137.24 150.6 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 mt -98.54 135.5 39.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.58 143.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -83.94 106.72 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 110' ' ' ARG . 1.4 pt? -113.84 7.12 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -48.32 173.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 3.9 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.55 -38.45 21.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -145.06 174.5 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 76.1 m-85 -144.52 121.66 11.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -81.13 131.34 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -92.61 126.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -85.24 -174.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -88.35 123.38 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.71 -135.87 8.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.3 mp -116.03 119.95 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 m -107.86 96.92 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -73.65 126.98 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.48 102.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 -138.22 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -104.15 166.1 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.57 -1.2 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.88 -20.6 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.65 143.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -38.69 -43.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -108.42 162.82 13.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -77.54 109.22 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -77.9 130.94 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -55.03 -40.22 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mt -124.38 136.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.21 137.11 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.719 0.295 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.5 mm -102.1 157.23 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -123.69 153.71 40.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -53.52 -37.77 63.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -119.56 38.57 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -37.8 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.412 ' C ' HG13 ' A' ' 59' ' ' ILE . 23.5 p -149.24 -176.12 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CG2' HG23 ' A' ' 32' ' ' ILE . 13.3 mt -144.63 158.68 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -128.12 109.43 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -100.61 124.49 46.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -121.46 107.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -137.86 145.35 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -80.31 104.13 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -41.06 158.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.77 -28.92 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -67.38 -29.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.0 17.9 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.428 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -110.92 139.42 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.59 116.17 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mm -117.83 151.04 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.35 132.12 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.21 131.53 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 10.7 tp -89.35 124.31 34.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.73 80.59 2.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.679 0.752 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -178.19 2.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -117.78 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -96.34 -14.15 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.79 31.47 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.6 p -133.57 149.51 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.57 99.16 11.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -128.65 135.51 49.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -132.02 133.76 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' GLY . 16.0 t -119.97 150.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 m120 40.01 25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . 101.57 -40.56 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.7 ptmt -82.56 -174.69 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -86.98 167.23 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.4 p -146.4 108.62 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.8 t -118.94 -18.03 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -108.68 156.46 38.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 93.61 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.72 156.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -78.02 141.3 38.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 95' ' ' LEU . 3.7 mm? -88.53 153.6 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -109.25 171.62 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -82.66 105.08 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.88 3.29 32.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.417 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -69.55 145.32 52.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 108' ' ' VAL . 16.0 ttp180 -96.06 110.84 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.417 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 6.6 mt -109.25 114.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 103' ' ' MET . 1.8 mp -105.3 140.71 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.443 ' N ' HG23 ' A' ' 102' ' ' ILE . 1.6 mpt? -130.5 99.38 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.29 -106.04 1.95 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -121.57 -69.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -121.35 56.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -125.35 76.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.482 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 7.4 t -84.0 161.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 33.2 m-85 -155.2 132.43 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.411 ' N ' HD21 ' A' ' 14' ' ' LEU . 32.5 ttt-85 -96.67 119.68 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -81.02 107.35 13.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -94.88 115.39 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -118.8 68.84 8.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 137.17 35.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.399 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.482 ' CD2' HD22 ' A' ' 112' ' ' ASN . 45.0 p-80 -159.47 158.11 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 4.1 mt -98.5 132.4 43.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG21 ' ND2' ' A' ' 112' ' ' ASN . 2.5 t -109.73 137.21 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 7.1 p-10 -72.02 66.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.2 pt? -70.74 0.07 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -55.29 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.832 0.348 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.84 -25.56 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -149.41 161.83 41.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' N ' HD12 ' A' ' 25' ' ' LEU . 46.7 m-85 -129.36 121.52 27.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.81 140.12 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.8 mt -111.48 154.87 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -130.73 -174.68 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.08 132.7 35.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -130.65 6.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 10.7 mm -123.34 118.01 53.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -110.51 94.27 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -75.1 133.94 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.89 94.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . -152.6 -128.92 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 36' ' ' GLY . 17.7 mm-40 -116.11 175.31 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -1.6 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -98.36 -25.11 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.08 141.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -35.78 -55.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ARG . 5.3 mpt_? -105.5 121.99 45.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' ARG . 19.8 tpp180 -36.78 132.89 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -100.82 130.74 46.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.11 -51.31 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.8 mt -109.86 116.66 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.91 105.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 107' ' ' HIS . 6.8 mm -105.2 104.16 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -54.07 138.57 37.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -47.21 -28.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.04 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.491 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 6.9 t60 -43.86 -70.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 59' ' ' ILE . 29.6 p -142.16 -176.07 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 58' ' ' CYS . 22.8 mt -145.06 158.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 74' ' ' LEU . 36.6 m-85 -131.59 108.43 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 16.0 ttt180 -100.55 136.12 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -131.38 108.94 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 23.7 tp10 -139.27 147.68 42.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 17.0 ttm180 -80.52 105.47 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 t -40.61 160.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.32 -19.79 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -78.82 -23.25 45.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.35 24.5 6.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -118.32 136.96 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.915 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.88 116.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.0 mm -118.69 154.78 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.1 t -126.36 129.31 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 m -124.46 130.93 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 60' ' ' PHE . 6.1 tp -90.78 122.06 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.41 80.11 1.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 175.08 8.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.0 t -121.44 150.86 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -77.96 5.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -121.08 17.42 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.03 178.0 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.9 tt0 -116.75 79.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -103.04 148.53 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.474 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 84.6 m-85 -146.75 120.26 9.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 74' ' ' LEU . 44.2 t -122.18 137.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 61.4 32.8 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.41 1.77 66.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -120.38 176.36 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.474 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 6.8 tpt180 -86.83 139.55 30.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 14.9 p -123.09 107.76 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -110.98 -20.09 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -109.27 158.0 35.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.16 2.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.44 159.99 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -77.62 143.48 38.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.437 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 3.3 mm? -85.87 154.51 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.1 tpp180 -103.92 129.23 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 t -45.41 90.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 105.59 38.64 2.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 6.2 p30 -98.1 146.3 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -82.26 120.54 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.455 HG22 ' CE ' ' A' ' 103' ' ' MET . 17.5 mt -120.66 122.21 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 108' ' ' VAL . 16.9 mt -111.65 134.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.455 ' CE ' HG22 ' A' ' 101' ' ' ILE . 1.1 mpt? -132.89 98.25 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.64 -115.73 4.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -132.16 131.9 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.4 41.45 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.529 ' CD2' HD12 ' A' ' 53' ' ' ILE . 21.5 m-70 -127.47 53.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 102' ' ' ILE . 1.4 t -95.01 126.66 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.547 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -124.44 165.3 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.58 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 7.1 tpt180 -108.63 113.84 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.437 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 66.3 t80 -79.88 101.57 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.482 HD22 ' CD2' ' A' ' 10' ' ' HIS . 1.5 p30 -92.83 163.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -159.09 73.92 3.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.283 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.553 0.692 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 26.3 p-80 -151.73 158.93 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 109' ' ' PHE . 41.0 mt -105.73 126.88 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 112' ' ' ASN . 1.5 t -99.08 136.69 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -82.74 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -76.51 6.74 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 108' ' ' VAL . 1.0 OUTLIER -48.36 177.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.65 -38.37 90.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.59 174.17 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' N ' HD11 ' A' ' 25' ' ' LEU . 37.2 m-85 -134.84 121.51 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mt -80.9 120.49 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HZ2' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.94 175.58 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.88 94.13 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 171.78 -139.14 5.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' HZ2' ' A' ' 29' ' ' LYS . 3.0 mp -120.21 103.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 m -94.69 94.44 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -64.01 145.06 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.522 HG21 ' CE2' ' A' ' 60' ' ' PHE . 5.3 t -118.47 108.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -144.48 4.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.63 161.12 13.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.92 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.66 -18.95 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -44.98 142.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ALA . 6.1 mt-10 -35.61 -58.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -179.72 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -97.37 100.69 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -76.52 123.75 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.45 -49.78 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.41 121.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.82 124.74 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' ND1' ' NZ ' ' A' ' 105' ' ' LYS . 34.1 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.749 0.309 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 11.1 mm -104.22 155.33 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.7 mptt -110.16 143.77 39.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -49.91 -38.26 35.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 77.1 mt-10 -128.17 39.77 3.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 7.6 t60 -34.97 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 26.5 p -142.65 179.63 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 58' ' ' CYS . 17.8 mt -142.01 152.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.522 ' CE2' HG21 ' A' ' 35' ' ' VAL . 51.3 m-85 -116.78 112.77 21.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' NH1' HD13 ' A' ' 32' ' ' ILE . 35.5 ttm-85 -106.51 122.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.5 p -108.23 106.53 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.44 134.21 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 9.2 ttm180 -80.38 105.18 11.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.7 t -40.67 153.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -48.27 -25.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.5 p -71.2 -34.8 71.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 119.64 16.66 4.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' CD ' HD11 ' A' ' 71' ' ' ILE . 5.8 pt-20 -109.55 134.29 52.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.7 116.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.407 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.9 mm -120.2 133.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.2 t -107.02 137.95 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.38 136.05 53.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 tp -94.57 123.48 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.13 80.68 1.92 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.674 0.749 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.89 64.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.07 167.03 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -5.43 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -125.91 23.43 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -124.57 168.69 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' HIS . 5.2 mp0 -111.61 103.95 12.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.405 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 6.2 m -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 88' ' ' ARG . 94.0 m-85 -129.44 122.29 29.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.66 129.83 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 57.88 30.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.33 -32.65 5.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -84.2 175.75 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -95.62 132.33 40.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' CG1' ' CG2' ' A' ' 82' ' ' THR . 12.1 p -110.39 117.89 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -123.13 -14.86 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -114.72 160.62 32.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 95.62 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 m -116.99 158.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -81.61 135.36 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.52 146.99 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 97' ' ' SER . 9.0 tpp180 -99.31 125.36 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 96' ' ' ARG . 40.2 t -36.15 99.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 96.46 42.98 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' CD1' ' A' ' 101' ' ' ILE . 4.5 p-10 -98.57 137.82 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HG2' ' CG1' ' A' ' 108' ' ' VAL . 15.2 ttp180 -82.4 111.92 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.517 ' CD1' ' ND2' ' A' ' 99' ' ' ASN . 6.5 mt -116.25 124.79 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 17.4 mt -117.81 125.81 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 105' ' ' LYS . 7.2 mtt -106.49 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.78 -74.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 18.7 mmtm -80.57 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 108' ' ' VAL . 12.0 p-10 -78.17 9.53 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -63.81 74.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -90.99 135.1 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.402 ' CB ' HD23 ' A' ' 11' ' ' LEU . 98.5 m-85 -121.8 151.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -100.78 122.42 43.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 38.0 t80 -79.52 97.78 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 2.7 m120 -84.82 136.16 33.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -150.01 72.57 9.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.9 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.72 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 52.9 p-80 -140.01 150.52 44.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.24 136.01 44.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.36 139.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 16.5 t-20 -91.63 101.63 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.66 7.06 32.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -44.18 168.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 9.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.835 0.35 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 2.3 mm? -86.44 -32.99 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' CD1' ' HB2' ' A' ' 10' ' ' HIS . 0.6 OUTLIER -146.42 161.91 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.59 ' CE1' ' SG ' ' A' ' 23' ' ' CYS . 11.0 m-85 -118.62 127.39 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -95.12 98.93 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.57 160.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.99 -174.38 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 123.93 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.12 -137.91 9.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.0 114.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 m -104.23 98.65 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -75.91 133.93 40.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 2.9 t -112.55 131.91 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.42 -134.92 2.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -99.27 168.58 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.96 37.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -83.55 -24.62 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -40.56 136.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ALA . 5.6 mm-40 -35.13 -58.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.8 mpt_? -91.49 107.79 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -37.99 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 50.0 mm-40 -67.61 123.95 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -49.04 -44.7 41.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.4 115.95 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.19 127.06 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 mm -67.38 145.77 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.83 157.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -48.04 -43.74 30.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' HIS . 79.7 mt-10 -122.18 42.27 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.7 t60 -34.6 -68.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.4 p -143.02 178.57 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -139.94 153.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' HD11 ' A' ' 74' ' ' LEU . 27.6 m-85 -127.43 108.64 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -100.74 136.47 40.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -125.1 108.11 11.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -134.34 144.22 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NH1' ' CG2' ' A' ' 70' ' ' VAL . 16.5 ttm-85 -80.44 106.54 12.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.4 t -41.59 157.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -55.37 -18.74 7.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -79.68 -23.33 42.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 18.99 9.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.78 132.06 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.959 0.409 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' CG2' ' NH1' ' A' ' 64' ' ' ARG . 54.7 t -68.99 126.74 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.2 mm -129.92 153.67 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.5 t -122.64 140.33 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.56 138.88 52.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' CE1' ' A' ' 60' ' ' PHE . 6.3 tp -97.47 116.46 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.2 79.83 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 175.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.2 t -113.18 154.31 26.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.76 -28.94 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -93.78 8.96 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -111.75 -177.91 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -134.08 113.31 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 83' ' ' TYR . 7.3 m -138.72 150.33 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 97.9 m-85 -142.87 122.9 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.49 123.16 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.33 35.97 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.74 -38.81 3.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -71.45 -176.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -104.83 138.74 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.451 ' N ' ' HE ' ' A' ' 88' ' ' ARG . 12.5 p -117.01 105.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 t -117.7 -2.36 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -127.04 157.98 70.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.15 161.38 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -81.25 141.8 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.72 153.8 21.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' GLY . 1.8 tmm_? -106.98 122.09 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -42.25 94.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 112.04 35.47 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.3 p30 -107.5 144.0 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.435 ' CB ' ' CZ ' ' A' ' 100' ' ' ARG . 1.1 mtp-105 -85.63 114.84 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.0 mt -114.78 107.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 103' ' ' MET . 5.0 mp -92.79 144.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.567 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.6 mpt? -126.21 99.05 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 66.82 -77.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -87.15 -175.53 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -76.19 49.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -106.71 80.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -84.13 150.33 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.424 ' CE1' ' SD ' ' A' ' 103' ' ' MET . 60.3 m-85 -133.82 142.48 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -97.13 112.28 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' GLY . 61.3 t80 -80.12 111.76 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.86 118.95 37.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 2.0 t-80 -124.3 78.75 60.68 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.37 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.542 0.687 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 24.6 p-80 -160.26 154.54 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -102.1 126.06 48.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -101.92 131.98 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -77.11 104.12 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -109.65 1.88 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -46.12 165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 8.0 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -39.59 -53.02 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 10' ' ' HIS . 0.6 OUTLIER -142.9 167.45 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 23' ' ' CYS . 38.8 m-85 -132.56 142.43 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -99.3 106.99 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -69.01 127.4 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -84.46 176.32 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.36 128.36 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.88 -119.9 2.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.521 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 4.4 mm -127.75 122.62 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.3 m -119.27 94.34 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -78.41 127.87 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -99.34 100.65 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.09 -140.53 3.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -100.57 170.3 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.27 -11.63 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 24.0 t0 -92.0 -25.37 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.7 143.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.0 mt-10 -37.15 -57.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -92.74 144.6 25.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -62.0 96.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.13 126.13 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.34 -54.79 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -113.23 120.56 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -101.55 111.4 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -43.25 116.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -72.11 142.25 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -44.75 -34.24 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.78 53.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -51.17 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.5 p -146.82 -178.82 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.3 mt -141.77 158.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' A' ' 74' ' ' LEU . 40.8 m-85 -128.73 107.75 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -99.43 127.86 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -117.91 104.59 11.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -133.8 141.76 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 20.9 ttp180 -80.52 122.89 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -62.1 -175.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -71.69 -14.32 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 t -95.79 5.44 51.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 78.25 13.52 83.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.5 pt-20 -96.91 121.74 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.9 t -68.1 113.75 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -110.5 140.82 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -115.25 134.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.04 140.41 52.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' A' ' 60' ' ' PHE . 6.4 tp -101.93 127.27 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.66 80.77 5.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.452 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.82 171.26 14.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.12 179.23 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.21 -27.52 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -121.97 40.41 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.4 p -120.5 162.94 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -98.81 73.82 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -112.61 151.9 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 58.5 m-85 -154.72 126.77 7.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 101' ' ' ILE . 3.0 t -131.49 144.44 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 73.31 28.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.77 68.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -132.9 -175.04 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 19.6 ttp180 -76.38 148.09 37.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 15.0 p -127.2 99.29 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 m -113.91 15.54 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -146.85 153.58 46.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 103.25 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.2 m -118.89 154.63 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.92 99.31 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 74' ' ' LEU . 2.2 mm? -38.75 142.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -104.3 132.24 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -42.85 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.8 26.42 10.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.459 ' OD1' ' CB ' ' A' ' 111' ' ' PHE . 3.6 p-10 -80.82 145.85 31.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -90.19 120.45 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CG1' ' ND2' ' A' ' 99' ' ' ASN . 3.6 mt -116.38 145.3 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 mt -142.71 141.06 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -136.49 151.45 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' MET . . . 35.16 -103.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 6.6 mptt -147.21 137.68 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.47 27.45 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 105' ' ' LYS . 21.2 m80 -119.13 50.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.7 t -83.28 152.4 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -152.95 144.85 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -106.02 136.41 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' CB ' ' OD1' ' A' ' 99' ' ' ASN . 39.1 t80 -88.75 125.0 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.0 t-20 -116.31 103.07 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.0 t-80 -119.73 78.6 22.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.558 0.694 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.556 0.694 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -150.02 151.35 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.22 136.66 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.43 151.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -90.41 75.64 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -78.69 6.78 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.509 ' N ' ' ND2' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -48.63 177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 89.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -87.37 -42.25 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.43 162.12 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 59.7 m-85 -132.16 124.76 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.81 106.88 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mt -69.12 122.87 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -86.27 159.33 19.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.39 76.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -172.04 -125.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 2.8 mm -131.88 112.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 45' ' ' ASP . 54.4 m -96.97 94.25 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -65.51 126.35 28.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.2 t -111.67 93.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.12 -138.58 2.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -91.2 163.16 14.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' CB ' HG12 ' A' ' 47' ' ' VAL . . . -88.77 -25.01 22.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' ALA . 59.0 m-20 -75.32 -20.17 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.28 152.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -34.46 -40.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -121.51 178.46 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -88.07 116.45 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -86.5 158.12 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.44 ' OD2' ' NZ ' ' A' ' 29' ' ' LYS . 1.6 m-20 -70.67 -63.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -100.02 108.77 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.406 HG12 ' CB ' ' A' ' 38' ' ' ALA . 12.3 t -92.57 122.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 54' ' ' LYS . 3.3 mm -134.58 162.06 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' HG21 ' A' ' 53' ' ' ILE . 42.0 mmtt -122.16 151.66 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.15 -45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.8 mm-40 -122.23 39.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.484 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 8.7 t60 -34.55 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.8 t -172.22 -179.74 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 58' ' ' CYS . 13.0 mt -156.44 168.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 28.0 m-85 -139.42 106.72 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 32' ' ' ILE . 33.9 ttt-85 -99.57 136.08 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -128.98 126.5 39.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -157.9 143.38 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -80.43 130.88 35.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 t -70.13 177.73 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -67.46 -9.01 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.6 p -100.53 0.36 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.3 84.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.7 pt-20 -86.93 119.85 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.15 108.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.422 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.8 mm -109.36 145.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 73' ' ' THR . 16.1 t -124.04 145.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -134.28 132.99 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.53 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 3.6 tp -96.91 140.91 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -125.03 81.97 62.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 146.99 61.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.33 -179.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -91.55 124.9 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 65.8 27.16 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -89.51 -174.49 4.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -115.45 78.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -132.19 122.95 26.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.14 130.96 53.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' LYS . 55.7 t -116.74 128.71 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 63.36 25.02 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.79 -28.38 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 84' ' ' VAL . 14.0 pttt -92.68 171.3 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 7.3 tpt180 -84.63 147.23 27.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 13.3 p -124.91 106.68 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -120.2 16.45 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.446 ' CG ' HG13 ' A' ' 93' ' ' VAL . 2.3 pt20 -142.54 155.38 63.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 94.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 73' ' ' THR . 32.6 m -118.58 167.94 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.65 141.24 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 3.4 mm? -87.51 161.59 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -119.14 163.95 16.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -72.21 109.6 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.49 57.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.478 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 2.6 p30 -67.34 130.64 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -82.1 117.56 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 15.5 mt -114.82 113.22 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.91 122.45 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.3 OUTLIER -115.33 145.77 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 50.75 -116.9 4.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -116.97 -71.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -107.26 45.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 36.5 m-70 -125.28 58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.7 159.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -154.9 144.82 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -112.47 128.02 56.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -83.21 138.14 33.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.05 104.1 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.48 79.33 4.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.596 0.713 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.75 144.27 53.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 44.4 p-80 -161.19 153.38 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.0 130.58 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.5 144.99 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.3 t-20 -90.08 75.39 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -77.27 6.22 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.96 164.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 4.0 mm? -72.36 -41.5 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.94 163.45 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.412 ' N ' HD13 ' A' ' 25' ' ' LEU . 73.4 m-85 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.28 114.25 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.2 mt -79.89 107.6 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.157 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -101.64 77.99 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.412 ' C ' HD11 ' A' ' 32' ' ' ILE . . . -179.0 -118.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -115.53 125.35 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.543 ' CG2' ' CG ' ' A' ' 45' ' ' ASP . 98.1 m -126.33 99.09 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 44.9 mtt180 -83.87 130.92 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 60' ' ' PHE . 14.9 t -107.24 104.0 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.94 -142.97 3.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -102.57 162.48 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.1 -19.28 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.6 m-20 -68.94 -38.61 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' ARG . . . -34.1 133.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.4 mt-10 -35.04 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ALA . 13.4 mmt180 -119.97 104.7 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 54.0 ttt180 -34.99 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 7.6 mm100 -54.07 166.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.543 ' CG ' ' CG2' ' A' ' 33' ' ' THR . 0.3 OUTLIER -76.28 -55.21 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.542 ' N ' ' CG ' ' A' ' 45' ' ' ASP . 8.9 mt -107.51 114.21 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.36 124.41 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.8 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.766 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -79.27 149.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -119.97 149.97 41.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 4.9 pm0 -46.77 -34.58 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -129.17 39.79 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.518 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.5 t60 -38.96 -42.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.42 ' C ' HG13 ' A' ' 59' ' ' ILE . 4.0 t -167.36 175.39 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 58' ' ' CYS . 25.1 mt -144.96 166.49 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 80.2 m-85 -137.04 109.46 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -102.01 129.5 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 m -124.09 112.53 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 2.4 tm-20 -142.7 144.51 32.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -80.53 125.33 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -64.39 -179.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -68.76 -20.34 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -86.05 -2.63 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.35 6.28 78.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 3.5 pt-20 -91.84 126.62 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 47.5 t -66.54 100.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 10.6 mm -103.09 124.46 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 73' ' ' THR . 67.2 t -108.72 142.25 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' HG13 ' A' ' 72' ' ' VAL . 1.6 m -131.56 151.14 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 6.1 tp -102.13 153.26 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.59 80.89 13.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.25 171.3 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.66 -28.18 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -100.39 26.43 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -132.06 169.74 15.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -119.94 89.4 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -107.48 140.36 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 97.8 m-85 -133.25 126.21 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 87' ' ' LYS . 20.7 t -115.06 127.66 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.71 28.42 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.44 -24.05 24.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 84' ' ' VAL . 30.0 pttt -96.75 167.46 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 37.2 ttp180 -77.48 160.59 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 13.3 p -144.37 111.78 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.84 -18.37 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -112.37 155.68 43.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 111.85 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.11 156.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -75.66 119.96 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 2.7 mm? -64.53 153.28 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -106.99 140.5 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 t -57.23 92.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.83 29.24 2.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.438 ' ND2' ' CG1' ' A' ' 101' ' ' ILE . 6.2 p-10 -96.65 133.94 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -82.39 115.48 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG1' ' ND2' ' A' ' 99' ' ' ASN . 6.9 mt -108.82 116.72 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 103' ' ' MET . 4.8 mp -105.26 155.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.3 mpt? -140.87 105.52 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.74 29.09 73.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt 44.0 34.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -125.72 -32.29 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 71.9 m-70 -127.68 131.94 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -128.6 114.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 107' ' ' HIS . 19.2 m-85 -121.21 154.74 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -112.1 132.15 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -79.46 132.97 36.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.534 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.0 t-20 -118.62 110.89 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 15.2 t-80 -124.93 80.73 63.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.77 139.88 41.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 30.4 p-80 -158.38 150.56 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.33 135.04 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.21 127.14 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.546 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.1 OUTLIER -66.35 74.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.6 pt? -76.46 7.26 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.48 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 61.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.9 -41.04 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.62 163.43 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 56.9 m-85 -133.3 131.57 40.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -90.76 101.05 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.21 121.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HZ2' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -85.16 177.74 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -82.73 123.93 29.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.06 -128.02 4.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -113.23 127.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.0 m -131.17 95.16 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' OE1' ' A' ' 44' ' ' GLN . 36.5 mtt85 -76.53 146.84 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -117.59 124.68 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.28 -178.71 31.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' N ' HE21 ' A' ' 37' ' ' GLN . 1.1 mm-40 -45.6 164.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 47' ' ' VAL . . . -81.21 -46.46 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 64.5 m-20 -66.55 -16.7 64.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -34.6 136.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.8 mt-10 -34.86 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 5.3 mmp_? -112.04 136.89 50.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -54.59 125.74 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 42' ' ' ARG . 1.4 mm-40 -114.69 125.17 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.39 -51.54 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 HG12 ' CG ' ' A' ' 26' ' ' TYR . 20.0 mt -97.09 111.54 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 38' ' ' ALA . 5.0 t -95.49 124.19 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.3 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 13.1 mm -56.98 153.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 13.5 mmtp -101.95 155.35 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -45.72 -43.53 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -126.87 48.85 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . 11.0 t60 -35.0 -66.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.2 p -144.09 179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.0 mt -134.4 159.44 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -134.18 109.08 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -106.89 107.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -101.71 110.69 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.64 143.01 45.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -80.39 125.15 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 t -62.57 -179.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.71 -29.05 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -77.18 -2.42 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.79 43.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.18 124.55 52.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 79.7 t -63.47 127.41 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mm -126.69 145.53 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 95.6 t -116.34 148.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.551 ' C ' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -138.07 157.76 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 95' ' ' LEU . 10.5 tp -122.87 116.83 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 82.39 2.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 166.62 26.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.95 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.83 -8.93 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -119.2 25.85 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -121.9 146.76 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -105.67 82.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -113.69 143.26 44.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 77.1 m-85 -134.35 111.27 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 87' ' ' LYS . 75.2 t -106.69 140.25 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.21 44.34 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.23 9.13 34.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . 22.6 mmtp -128.26 171.71 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 3.7 ttm180 -89.22 129.55 35.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.68 129.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -137.95 18.04 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.423 ' CG ' HG13 ' A' ' 93' ' ' VAL . 2.6 pt20 -149.85 156.29 38.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 93.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 91' ' ' GLN . 26.3 m -114.86 146.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.33 107.77 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.551 ' CD2' ' C ' ' A' ' 73' ' ' THR . 2.4 mm? -54.06 150.56 7.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' GLY . 3.8 tpm_? -103.47 137.45 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -54.54 84.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 127.19 17.24 2.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.431 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 1.7 p30 -84.88 133.99 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -82.7 121.0 26.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.423 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 14.9 mt -119.61 129.71 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.451 ' C ' ' SD ' ' A' ' 103' ' ' MET . 4.1 mp -115.3 143.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -133.85 138.14 45.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.03 -107.69 2.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -115.37 -75.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.62 50.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' MET . 2.1 m-70 -116.82 75.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 109' ' ' PHE . 1.5 t -86.64 161.72 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 97.3 m-85 -159.92 135.49 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.569 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 21.6 ttt180 -100.34 120.23 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 6.9 t80 -79.21 101.18 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.495 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 10.9 m-20 -82.47 158.02 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 5.8 t-80 -161.1 78.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.5 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.576 0.703 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.7 129.15 17.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 56.5 p-80 -152.81 151.5 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.33 132.3 44.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.76 146.64 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.07 123.25 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -132.74 6.41 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -58.39 -177.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.78 -38.42 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 170.14 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -140.94 121.54 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.56 109.24 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.88 107.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.22 174.16 8.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -83.48 113.55 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.48 -113.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mm -131.95 118.58 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 45' ' ' ASP . 17.3 m -109.3 95.21 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -74.37 129.74 38.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 60' ' ' PHE . 20.9 t -114.31 90.75 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.63 -112.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 20.1 mt-30 -121.82 177.76 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 4.1 m-20 -71.76 -20.39 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -37.2 150.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.05 -41.13 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -107.25 178.47 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -84.06 90.77 7.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -60.74 130.05 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.42 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.9 t70 -53.14 -56.12 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 48' ' ' LEU . 14.5 mt -110.77 144.93 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 46' ' ' ILE . 60.2 t -126.24 123.11 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 23.6 mm -109.9 129.25 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -102.2 158.41 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -124.98 30.43 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 5.8 t60 -39.11 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.9 t -170.62 179.88 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 58' ' ' CYS . 11.0 mt -154.32 167.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 24.4 m-85 -143.28 116.72 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -99.37 145.67 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -129.57 123.03 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -156.97 131.41 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 4.6 ttm105 -80.33 121.33 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 37.3 t -54.1 179.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -71.09 -14.65 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -84.79 -37.24 21.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.22 14.74 2.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -102.97 131.59 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 38.4 t -72.14 108.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 72' ' ' VAL . 1.8 mp -85.21 154.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 85.2 t -138.05 114.88 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.21 137.1 52.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.695 ' CD1' ' CZ ' ' A' ' 60' ' ' PHE . 6.1 tp -99.35 154.66 18.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 2.8 mm-40 -141.69 81.45 14.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.38 5.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -106.78 166.17 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -89.99 -6.19 55.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -125.12 29.91 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -130.47 -176.17 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.498 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 5.1 mp0 -129.07 92.9 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -121.01 124.04 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.83 122.38 42.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.9 t -116.41 129.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 63.8 28.72 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.61 -34.23 4.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.88 169.5 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -80.65 161.29 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 12.2 p -139.4 107.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 p -111.13 -21.57 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.421 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 3.4 mm100 -111.61 161.06 27.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 54.4 Cg_endo -69.72 116.53 4.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.97 152.8 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -75.41 124.73 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -70.44 156.15 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -110.85 144.44 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.8 t -54.22 105.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.43 41.31 4.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.436 ' ND2' HD13 ' A' ' 95' ' ' LEU . 8.1 p-10 -94.03 147.57 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -95.09 106.68 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.423 HG21 ' CE ' ' A' ' 103' ' ' MET . 4.9 mt -105.83 104.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.3 mt -97.4 120.25 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.469 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.0 OUTLIER -110.0 145.5 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.45 -98.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 -73.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -107.07 50.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -130.05 66.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.5 t -90.68 157.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -152.57 135.99 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -100.18 121.77 41.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 10.4 t80 -79.26 106.02 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.467 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 8.8 m-20 -88.1 112.99 23.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.423 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 1.9 t-80 -117.01 72.28 5.99 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.53 0.681 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' N ' HG22 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.76 141.09 44.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -159.68 150.43 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -98.69 139.66 34.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.65 128.0 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 26.3 t-20 -79.37 95.71 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -101.55 6.76 42.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.611 ' N ' HD21 ' A' ' 15' ' ' ASN . 0.1 OUTLIER -45.06 161.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.7 mm? -47.04 -45.14 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.39 167.24 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -130.74 135.29 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -91.65 127.73 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 60' ' ' PHE . 2.4 mt -95.7 103.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -92.18 79.38 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.66 -128.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.79 109.01 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -101.48 101.96 12.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 30.1 mtt-85 -76.91 109.55 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.79 114.03 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.64 -136.42 2.0 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 11.8 mm-40 -102.17 176.45 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 47' ' ' VAL . . . -89.96 -28.15 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ALA . 9.0 m-20 -57.68 -36.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' CB ' ' CG ' ' A' ' 55' ' ' GLU . . . -34.0 150.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -64.18 -46.3 84.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -92.35 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ttp-105 -41.39 116.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 6.9 mm100 -79.97 157.87 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.58 -46.41 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mt -125.03 112.39 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 38' ' ' ALA . 21.3 t -98.62 111.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 107' ' ' HIS . 11.9 mm -110.61 93.94 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 5.8 mmpt? -53.74 136.3 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.567 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 7.9 tt0 -43.65 -34.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.8 mt-10 -121.27 41.01 3.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.2 t60 -34.41 -64.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.412 ' C ' HG13 ' A' ' 59' ' ' ILE . 30.3 p -156.7 176.64 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 58' ' ' CYS . 12.1 mt -141.52 161.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.459 ' CD2' HD12 ' A' ' 28' ' ' ILE . 48.6 m-85 -127.21 107.35 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -99.49 108.48 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 95.45 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -122.66 147.93 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 11.1 ttp180 -80.25 117.8 21.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -59.02 173.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -61.92 -19.51 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -88.31 -0.16 56.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.2 14.39 76.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.3 pt-20 -101.72 122.46 43.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 99.3 t -64.72 129.54 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.6 mm -130.27 140.85 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.6 t -117.33 134.48 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.74 135.52 50.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 16.0 tp -87.56 119.54 27.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.55 80.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.73 174.84 8.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.8 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.19 -37.42 26.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -106.55 34.31 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.8 p -105.31 139.55 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -95.4 59.16 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 83' ' ' TYR . 14.7 m -97.68 145.75 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.427 ' N ' HG23 ' A' ' 82' ' ' THR . 73.1 m-85 -140.89 113.3 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.6 t -109.18 130.38 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 m120 62.31 36.54 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.02 10.05 55.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -118.61 -178.66 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -92.49 129.42 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 15.0 p -112.55 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 p -109.13 -3.04 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 92' ' ' PRO . 0.0 OUTLIER -131.9 167.0 24.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 91' ' ' GLN . 53.3 Cg_endo -69.79 116.51 4.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 144.7 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 27.4 mt-30 -67.3 137.53 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.493 ' HB3' ' CG ' ' A' ' 111' ' ' PHE . 3.0 mm? -86.86 143.53 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.687 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 3.5 tpm_? -106.53 122.04 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.74 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 130.09 22.71 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 96' ' ' ARG . 93.8 m-20 -90.49 -177.57 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -129.68 100.8 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' PHE . 9.6 mt -101.12 117.04 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.19 109.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.529 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.8 mtt -108.57 140.01 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 53' ' ' ILE . . . 80.46 -105.01 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.72 -67.32 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -122.55 46.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -117.63 79.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.3 150.55 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 56.8 m-85 -155.75 127.2 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 5.3 ttp-105 -97.39 134.83 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 76.2 t80 -79.85 152.83 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -135.07 162.44 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.438 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 4.4 t-80 -168.34 80.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.579 0.704 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' CB ' HG23 ' A' ' 72' ' ' VAL . 53.6 Cg_endo -69.78 97.14 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -118.35 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.33 130.12 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.53 156.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.87 101.74 13.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.4 pt? -115.96 9.7 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -45.03 170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.12 -38.11 61.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.32 -179.79 6.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 52.5 m-85 -143.12 123.43 13.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' HD12 ' A' ' 25' ' ' LEU . 6.1 m-85 -92.33 138.53 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.85 127.34 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -172.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -102.09 79.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 170.54 -122.46 0.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.7 mp -114.77 134.24 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 m -128.1 104.44 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -80.31 110.58 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.29 142.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.17 -132.78 2.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -101.08 169.92 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.86 -24.25 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -75.82 -23.14 55.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -37.86 135.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.0 mt-10 -37.75 -36.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.7 mtm180 -114.44 109.98 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ARG . 49.8 ttt180 -36.41 118.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -88.5 133.03 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -47.6 -66.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 HG23 ' CD2' ' A' ' 48' ' ' LEU . 33.4 mt -101.94 119.1 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.91 119.95 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD2' HG23 ' A' ' 46' ' ' ILE . 2.9 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 m80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mm -100.78 165.35 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' GLU . 38.0 mmtt -114.64 137.41 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' LYS . 3.9 mp0 -34.58 -46.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' HIS . 20.4 mt-10 -119.72 49.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.9 t60 -34.63 -69.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 m -148.95 -176.87 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.4 mt -140.35 154.38 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' A' ' 74' ' ' LEU . 44.7 m-85 -123.82 110.35 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -99.87 104.95 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.424 ' OG ' ' CG2' ' A' ' 72' ' ' VAL . 58.7 m -112.35 103.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.5 173.75 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 1.1 ttp-105 -80.46 108.57 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -49.62 178.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.13 -21.14 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 m -90.44 -1.93 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 92.42 0.21 70.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.0 pt-20 -93.72 124.6 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.91 113.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 49.4 mm -114.72 154.53 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 9' ' ' PRO . 67.4 t -124.63 133.42 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.64 135.27 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 6.5 tp -93.92 120.8 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -108.19 80.96 1.18 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.31 66.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.93 -174.56 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -84.95 126.06 33.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 64.03 39.03 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' THR . 2.0 p -100.29 126.34 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.58 75.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' SER . 1.0 OUTLIER -129.3 141.76 51.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -145.95 126.77 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.6 129.77 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m120 63.19 26.38 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.9 -28.03 10.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.18 161.73 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -71.82 165.28 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.58 108.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 t -120.24 -7.92 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -117.83 155.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 m -121.4 153.67 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 50.1 mt-30 -70.54 134.99 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.0 mm? -74.85 148.83 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 2.9 tpm_? -99.24 121.31 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.94 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 134.5 4.6 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -80.37 -174.09 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -136.38 108.33 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.437 ' CG2' ' HE3' ' A' ' 103' ' ' MET . 4.9 mp -93.82 120.74 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.409 ' CG1' HG13 ' A' ' 108' ' ' VAL . 26.3 mt -106.77 118.84 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.437 ' HE3' ' CG2' ' A' ' 101' ' ' ILE . 4.8 mtt -124.32 103.53 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.54 -99.58 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -130.57 -73.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -114.87 21.18 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -86.26 78.59 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.409 HG13 ' CG1' ' A' ' 102' ' ' ILE . 1.5 t -102.54 140.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.79 142.49 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.526 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 28.8 ttm-85 -96.65 129.01 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -80.99 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -124.52 103.11 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -111.73 74.26 1.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.561 0.696 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.54 9.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -140.36 147.82 40.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.5 127.33 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.18 136.27 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 37.8 t-20 -83.97 77.2 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' NE ' ' A' ' 100' ' ' ARG . 1.6 pt? -76.59 6.71 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -46.63 172.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 75.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.1 mm? -76.05 -43.85 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.7 161.35 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 23.8 m-85 -122.43 124.21 43.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -88.07 93.07 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 29' ' ' LYS . 2.7 mt -53.11 158.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 28' ' ' ILE . 5.3 mttp -104.9 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.73 78.35 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.36 -106.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 4.2 mm -131.89 130.92 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -134.1 102.83 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -76.53 140.66 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.14 109.33 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.46 -118.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -115.21 -178.52 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.91 -20.38 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' A' ' 55' ' ' GLU . . . -38.45 142.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -38.96 -36.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -113.36 139.91 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 29.6 ttp180 -65.68 110.73 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' CA ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -91.94 139.69 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.58 -58.63 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.8 116.89 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.46 114.47 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.764 0.316 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 54' ' ' LYS . 4.6 mm -103.74 158.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 53' ' ' ILE . 20.3 mmtt -107.23 151.36 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 36.1 mt-10 -53.77 -30.65 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.3 mt-10 -131.71 44.59 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.6 t60 -34.98 -70.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 p -142.84 178.96 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -140.08 153.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -123.47 112.41 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 23.4 ttp180 -105.77 114.83 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 t -113.46 101.62 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.41 147.67 51.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -80.89 104.26 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 t -42.14 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -20.14 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -15.28 49.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.86 9.35 46.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.23 125.43 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 89.9 t -63.71 131.18 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.7 mm -130.68 129.57 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 64.4 t -106.69 129.35 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.25 137.0 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 6.3 tp -97.77 117.47 32.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -109.16 80.71 1.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.71 175.85 7.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.88 -179.23 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -89.47 -35.35 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -97.73 36.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m -127.19 159.3 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -111.83 88.39 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.84 156.24 29.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.528 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 88.8 m-85 -153.18 117.68 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -113.71 132.8 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.1 m120 60.88 33.45 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.95 -23.91 4.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -90.36 -174.68 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.63 143.62 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.58 ' N ' ' HE ' ' A' ' 88' ' ' ARG . 7.5 p -126.6 109.49 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -121.19 8.34 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -136.89 160.6 65.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.73 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.3 150.54 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.24 145.85 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 111' ' ' PHE . 1.9 mm? -87.17 146.64 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -99.12 119.42 37.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.99 87.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 129.78 12.01 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -87.38 150.34 23.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.455 ' NE ' HD12 ' A' ' 14' ' ' LEU . 7.2 ttm180 -93.24 101.69 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 18.0 mt -90.21 121.28 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.62 138.62 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.548 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 11.3 mtt -132.92 148.25 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.09 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' MET . 0.4 OUTLIER -154.37 142.35 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 47.88 34.7 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -130.82 65.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 109' ' ' PHE . 4.0 t -93.15 156.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 36.4 m-85 -158.07 143.42 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 ttp-105 -107.57 130.24 54.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 23.1 t80 -82.81 140.37 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -124.12 119.0 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.4 t-80 -133.85 74.78 68.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 85.5 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.615 0.722 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.72 124.83 11.49 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 24.8 p-80 -141.3 166.97 23.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -120.31 129.73 54.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.98 158.65 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -102.56 95.6 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 110' ' ' ARG . 1.4 pt? -104.64 7.03 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.592 ' ND2' ' N ' ' A' ' 108' ' ' VAL . 15.5 m120 -45.95 171.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 96.1 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 24' ' ' LEU . 2.2 mm? -72.08 -38.37 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.48 161.79 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 31.6 m-85 -128.72 131.06 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.74 119.27 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.93 120.43 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 164.54 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.24 73.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.34 -124.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.8 102.72 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -97.07 99.52 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -74.18 136.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.18 109.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.4 -133.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -109.93 175.46 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' CB ' HG13 ' A' ' 47' ' ' VAL . . . -89.66 -22.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -90.7 -10.71 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.34 160.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.24 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' GLN . 18.2 mmt85 -97.41 108.3 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . 5.4 ttp-105 -34.98 93.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ARG . 36.5 mm-40 -62.97 165.73 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.79 -51.62 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.2 107.81 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG13 ' CB ' ' A' ' 38' ' ' ALA . 21.4 t -92.54 106.22 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 18.3 mm -104.41 93.55 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ILE . 1.7 mmmp? -38.26 129.79 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.95 -32.3 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.5 mt-10 -127.8 37.34 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 7.0 t60 -34.52 -69.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.5 p -145.27 -179.25 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -140.23 159.45 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -123.7 107.45 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -99.92 112.14 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -110.41 91.0 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -117.15 142.84 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' CB ' ' CZ ' ' A' ' 64' ' ' ARG . 3.4 ttm105 -80.34 108.26 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -47.55 167.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.87 -12.67 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -88.01 -18.78 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 104.38 10.58 33.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.28 132.09 49.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -74.57 110.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.8 mm -104.67 132.72 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.4 t -109.05 132.91 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.6 145.7 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 11.1 tp -100.61 121.23 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.49 81.1 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.97 179.98 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.5 -44.04 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -100.13 34.0 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.1 p -112.65 118.71 35.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.48 70.64 7.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.49 ' OG1' ' CD2' ' A' ' 57' ' ' HIS . 2.2 m -101.76 146.43 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 64.3 m-85 -147.5 113.69 5.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.17 135.07 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 55.08 23.41 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.07 66.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.1 143.73 51.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -63.94 135.21 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 7.0 p -128.39 114.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.7 p -120.66 -14.8 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 7.7 mm100 -112.22 161.0 28.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.4 Cg_endo -69.82 97.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.15 150.15 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.8 144.16 57.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 3.2 mm? -88.1 147.88 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -103.63 120.41 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 101.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 115.82 9.66 12.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -82.55 162.34 22.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.03 107.18 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.08 117.9 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.26 101.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.1 mtm -104.67 103.49 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.62 -103.64 3.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.46 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 24.7 mmtp -151.78 129.97 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.01 29.58 14.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.46 ' CE1' ' H ' ' A' ' 105' ' ' LYS . 29.4 m80 -115.86 51.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.592 ' N ' ' ND2' ' A' ' 15' ' ' ASN . 2.8 t -84.91 123.44 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -117.97 153.31 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 13.1 ttt-85 -105.14 115.72 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' GLY . 14.8 t80 -79.87 118.47 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.573 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 6.8 m-20 -116.07 115.32 25.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.37 80.82 69.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.363 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' N ' HG23 ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.71 144.03 52.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -158.49 153.71 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.3 mt -104.08 125.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.95 142.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -87.25 73.73 9.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.6 pt? -73.93 3.44 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.3 166.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.1 -34.71 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.23 175.62 10.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 45.8 m-85 -137.73 125.67 22.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.83 137.77 32.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -113.84 117.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.78 176.57 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.4 101.29 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.74 -118.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 59' ' ' ILE . 3.6 mp -129.04 106.29 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 1.3 m -91.76 100.94 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -79.74 116.93 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.78 129.95 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.13 -140.0 4.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 21.9 mm-40 -102.27 164.99 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.449 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . . . -81.12 -13.89 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ALA . 39.8 m-20 -82.39 -30.53 30.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.82 147.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' ALA . 2.6 pt-20 -34.54 -47.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -107.1 159.76 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -70.43 90.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 83.2 mm-40 -48.46 116.23 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.64 -31.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 29.3 mt -131.46 128.42 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 38' ' ' ALA . 87.8 t -115.05 107.14 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' CG2' ' A' ' 46' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.3 m170 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.768 0.318 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 18.4 mm -107.32 162.46 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 18.5 mmtp -114.64 142.76 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -48.99 -29.71 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.3 mm-40 -131.9 39.84 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t60 -36.53 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.4 p -139.48 -179.12 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CG2' HG23 ' A' ' 32' ' ' ILE . 10.2 mt -144.04 161.75 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.89 125.43 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -113.46 120.93 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -114.49 111.58 21.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -143.49 153.17 42.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -84.21 128.64 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -69.6 166.29 19.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -54.7 -23.04 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 t -77.15 -28.54 54.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.63 23.93 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 pt-20 -114.99 121.67 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 74.6 t -60.42 109.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.68 150.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.8 t -119.85 140.62 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.86 135.16 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 5.3 tp -94.66 126.59 40.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -111.34 80.17 2.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 154.61 67.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.06 179.86 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.71 4.75 30.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -118.78 11.0 12.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.62 -174.91 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.532 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.9 tp10 -128.07 100.46 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.441 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 1.7 m -119.99 149.74 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 84.5 m-85 -148.65 129.06 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 85' ' ' ASN . 85.5 t -127.64 136.56 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' HG12 ' A' ' 84' ' ' VAL . 8.6 m-80 63.67 25.23 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.94 0.77 90.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -119.25 170.95 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.765 0.317 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -78.38 151.13 32.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 11.1 p -134.07 98.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -111.46 -11.86 14.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -113.94 155.68 44.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.696 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 99.0 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.87 157.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.8 142.79 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -87.32 176.33 7.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.94 157.66 45.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.87 114.18 20.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.31 0.6 40.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -78.02 155.44 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -100.99 125.37 47.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.27 119.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -108.87 136.2 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 mtt -132.47 105.78 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.12 -101.62 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 18.1 mmtp -118.83 -71.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -125.7 18.33 8.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CE1' ' A' ' 109' ' ' PHE . 1.7 m80 -79.37 75.77 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.73 147.71 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 107' ' ' HIS . 23.7 m-85 -144.0 147.82 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.433 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 36.3 ttm180 -105.51 125.22 50.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -86.18 132.13 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -123.34 124.7 43.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.6 t-80 -107.53 78.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.589 0.709 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.06 15.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.266 . . . . 0.0 112.346 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 35.4 p-80 -150.47 155.5 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' CE2' ' A' ' 60' ' ' PHE . 28.5 mt -104.72 136.87 43.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.57 148.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -90.27 83.57 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.6 pt? -88.77 1.34 55.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -59.94 177.26 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 8.2 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.88 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.56 164.37 32.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 23' ' ' CYS . 65.7 m-85 -135.55 124.29 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.68 130.58 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.8 mt -103.01 122.29 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -80.9 176.23 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.09 83.09 8.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -122.43 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 3.0 mm -128.47 113.02 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m -111.72 98.24 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 42' ' ' ARG . 69.6 mtt180 -67.85 146.75 53.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.513 HG23 ' CD2' ' A' ' 60' ' ' PHE . 2.1 t -126.76 117.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' CD2' ' A' ' 48' ' ' LEU . . . 176.1 -136.31 3.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -100.7 153.32 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.56 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ALA . 25.2 t70 -66.06 -29.51 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.18 147.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 mm-40 -37.07 -57.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 6.0 tpp85 -99.68 130.07 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.9 ttm105 -50.3 135.59 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.9 mm100 -110.95 143.32 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.72 -57.62 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 12.3 mt -96.4 125.36 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' C ' HD11 ' A' ' 48' ' ' LEU . 6.6 t -103.83 128.85 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.536 ' CD1' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mm -146.22 135.05 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' GLU . 15.2 mmtt -91.9 133.8 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' LYS . 39.6 mt-10 -34.5 -44.11 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.5 mm-40 -120.4 49.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.9 t60 -34.67 -69.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.37 -178.71 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 mt -139.86 152.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' A' ' 74' ' ' LEU . 29.4 m-85 -114.94 107.82 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -100.14 135.8 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -129.86 121.43 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -146.44 139.17 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 64' ' ' ARG . 2.9 ttm105 -81.24 116.73 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 t -54.27 160.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.26 -26.83 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -27.1 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.89 21.27 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.5 128.07 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.62 111.44 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.437 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.0 mm -110.73 143.61 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.9 t -116.06 149.9 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.59 132.63 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 60' ' ' PHE . 4.6 tp -96.43 129.76 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -112.15 79.92 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.694 0.759 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 167.67 23.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.38 138.78 37.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -22.55 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.96 36.48 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -127.76 105.76 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.23 99.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -137.97 134.77 35.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 84.2 m-85 -138.17 132.07 31.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 85' ' ' ASN . 23.1 t -130.78 141.37 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.438 ' N ' HG11 ' A' ' 84' ' ' VAL . 5.3 m120 62.9 31.6 16.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.62 83.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -128.21 177.9 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 20.5 ttp85 -86.3 149.55 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 14.9 p -130.67 96.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -113.38 30.81 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.51 160.93 23.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.54 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -118.71 152.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 30.2 mt-30 -70.07 139.57 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.7 mm? -83.65 170.58 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 96' ' ' ARG . 4.5 mmm180 -135.3 162.36 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.55 115.2 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.0 48.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.45 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -68.2 147.93 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.64 104.64 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.45 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 6.9 mt -100.97 124.02 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mt -115.97 122.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.67 147.23 35.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.409 ' HA3' ' ND1' ' A' ' 107' ' ' HIS . . . 54.98 -104.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -130.81 -63.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -110.32 31.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.409 ' ND1' ' HA3' ' A' ' 104' ' ' GLY . 5.7 m80 -108.41 66.43 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.4 t -84.51 153.41 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -156.4 148.02 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.431 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 31.3 ttt180 -117.32 117.69 30.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.405 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 58.6 t80 -79.59 123.16 27.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.409 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 23.3 m-20 -109.95 140.5 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -139.34 80.6 22.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.326 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 83.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 54.0 Cg_endo -69.8 131.99 22.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.27 154.37 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.32 117.02 32.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.75 133.34 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -78.96 125.5 29.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -125.73 12.69 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -51.46 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.5 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.912 0.386 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -104.51 -19.35 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.61 157.45 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 23' ' ' CYS . 57.4 m-85 -135.17 138.2 43.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -88.69 144.26 26.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.06 110.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -54.71 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -104.24 78.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.01 -106.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mm -128.53 126.06 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.6 m -121.39 104.4 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -78.51 128.44 33.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.34 104.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.01 -148.76 5.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -87.19 162.64 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.67 -37.26 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.71 -14.43 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.31 141.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -37.79 -57.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' ARG . 10.8 tpp180 -97.6 111.34 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 tpt180 -34.52 132.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -106.75 164.42 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 29' ' ' LYS . 24.7 t70 -85.14 -64.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.435 HG21 ' CD2' ' A' ' 48' ' ' LEU . 6.4 mt -96.86 117.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.94 111.57 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 46' ' ' ILE . 2.1 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.9 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.755 0.312 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.3 mm -141.21 153.92 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.23 150.92 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.62 -30.0 62.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.5 mt-10 -129.51 41.58 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.6 t60 -36.69 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 59' ' ' ILE . 7.8 p -146.61 -175.11 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 58' ' ' CYS . 12.2 mt -143.9 159.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -132.44 112.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -101.35 128.74 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.52 97.71 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -126.98 141.58 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -80.39 113.7 18.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -51.51 166.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -58.81 -18.49 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -80.57 -25.49 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.74 19.35 8.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' CD ' HD11 ' A' ' 71' ' ' ILE . 3.7 pt-20 -110.01 126.53 54.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 43.4 t -67.17 98.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.405 HD11 ' CD ' ' A' ' 69' ' ' GLU . 3.3 mm -95.83 152.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 96.9 t -125.8 131.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 1.1 m -122.79 138.48 54.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 89' ' ' VAL . 7.2 tp -96.0 126.33 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -114.39 80.74 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 172.07 13.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.658 2.238 . . . . 0.0 112.377 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.9 -179.28 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -86.96 -36.45 18.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -91.89 17.87 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -119.57 142.9 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -101.85 97.98 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -121.29 142.39 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 75.7 m-85 -137.66 111.71 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 18.3 t -106.19 134.48 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m120 61.75 21.6 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.57 3.93 77.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' VAL . 8.0 ptpp? -125.11 156.91 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.589 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 1.4 ttm180 -73.45 132.95 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 74' ' ' LEU . 7.1 p -110.17 114.25 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.6 m -122.11 21.91 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -148.44 154.13 41.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.24 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 73' ' ' THR . 16.9 m -115.73 159.54 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.8 99.75 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -38.33 148.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.31 120.86 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -36.33 114.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.402 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 95.2 10.81 56.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.4 ' ND2' ' CG1' ' A' ' 101' ' ' ILE . 8.9 p-10 -78.52 130.92 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -82.25 111.21 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CG1' ' ND2' ' A' ' 99' ' ' ASN . 7.0 mt -108.02 121.52 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.05 119.38 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.8 mtm -120.03 99.49 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.35 -107.72 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -116.45 -67.07 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -124.49 8.36 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -72.24 91.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -113.09 146.05 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -139.37 155.53 47.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.402 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 2.4 tmm_? -106.04 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 37.1 t80 -79.39 107.09 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -93.44 111.66 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.1 t-80 -113.55 77.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 85.0 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.537 0.684 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.83 130.84 19.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -151.36 145.83 25.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -99.33 130.37 45.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.7 144.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -88.04 71.33 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.48 -1.32 8.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -49.81 163.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 26.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' CYS . 1.5 mm? -35.39 -48.7 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.22 172.81 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 44.2 m-85 -134.01 123.7 25.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -86.51 107.94 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -78.32 119.15 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -75.45 173.65 10.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.31 83.9 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' HD13 ' A' ' 32' ' ' ILE . . . 179.44 -127.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 HD13 ' C ' ' A' ' 31' ' ' GLY . 2.1 mp -119.04 114.53 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 95.29 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -71.52 133.7 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.08 127.13 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.17 -130.17 1.97 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -100.43 167.73 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.334 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 47' ' ' VAL . . . -84.9 -26.15 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -87.41 -8.07 56.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.03 149.15 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -44.04 -56.08 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' GLN . 5.1 mmp_? -94.35 114.03 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' ARG . 34.8 ttp180 -37.28 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' ARG . 35.7 mm-40 -65.68 104.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' GLN . 7.7 t0 -34.98 -54.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -102.53 124.4 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 38' ' ' ALA . 20.3 t -107.84 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.9 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.32 150.61 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -116.17 142.96 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 22.4 mp0 -39.62 -35.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.91 54.36 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -41.17 -51.01 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.4 p -158.69 -176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 58' ' ' CYS . 45.1 mt -144.83 154.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -127.8 108.88 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -105.03 119.94 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -109.59 99.57 8.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.07 134.91 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 13.6 ttm180 -80.42 107.4 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -46.89 168.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.43 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 p -76.71 -16.51 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 97.31 21.25 20.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -113.82 134.22 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.2 t -72.82 118.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.36 122.7 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.17 127.72 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.24 136.23 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 tp -97.25 121.65 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -109.43 79.7 1.35 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.81 169.17 19.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 t -109.68 148.48 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.18 -2.12 23.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -119.68 38.83 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 m -147.49 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -122.75 94.87 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -124.37 138.53 54.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -132.94 123.77 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.7 t -120.91 135.79 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.94 25.47 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.32 -3.64 85.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -114.08 -179.83 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -90.69 129.64 36.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 10.6 p -104.81 91.02 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -105.91 16.47 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -147.65 154.77 44.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 101.75 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.86 168.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -88.98 132.36 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.41 157.34 35.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -108.92 139.94 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -53.41 93.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.8 17.22 11.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -77.24 136.97 38.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -83.77 114.94 21.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 9.5 mt -114.13 113.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.446 HG13 ' CG2' ' A' ' 108' ' ' VAL . 4.1 mp -101.06 152.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.485 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 22.8 mtt -144.17 149.96 37.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.502 ' HA3' ' CD2' ' A' ' 107' ' ' HIS . . . 64.18 -87.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -132.51 -66.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -125.25 9.99 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CD2' ' HA3' ' A' ' 104' ' ' GLY . 1.6 m-70 -68.1 80.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.446 ' CG2' HG13 ' A' ' 102' ' ' ILE . 2.2 t -97.57 154.65 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.78 144.66 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -96.43 114.22 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.46 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 38.7 t80 -83.93 97.41 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -89.16 114.77 26.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 31.5 t-80 -119.57 79.16 21.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 83.9 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.571 0.7 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.71 135.72 31.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -158.4 154.45 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.59 130.67 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 129.06 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -81.13 77.63 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.76 6.15 9.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -49.63 178.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 9.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.832 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 24' ' ' LEU . 3.1 mm? -83.21 -29.68 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.02 168.33 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 23' ' ' CYS . 65.8 m-85 -138.27 128.57 26.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -88.52 129.35 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.7 mt -92.39 125.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.68 165.18 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.94 109.99 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.91 -130.09 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.83 123.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.3 m -110.11 98.7 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.12 124.72 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.92 102.12 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.8 -130.2 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -102.73 170.57 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 47' ' ' VAL . . . -90.22 -13.42 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -92.84 -17.41 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.45 149.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -45.71 25.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' GLN . 9.8 ttm180 -101.07 116.69 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -43.71 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 9.3 mm100 -68.15 128.87 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.62 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.0 mt -97.65 137.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 38' ' ' ALA . 3.8 t -123.86 133.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.5 m80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mm -96.12 155.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -117.6 152.07 35.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 6.6 mp0 -49.22 -36.1 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.91 42.57 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 9.3 t60 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.435 ' CB ' ' HA ' ' A' ' 76' ' ' PRO . 3.3 m -151.31 -177.16 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 58' ' ' CYS . 14.1 mt -143.9 159.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.502 ' CE1' HD11 ' A' ' 74' ' ' LEU . 25.7 m-85 -130.79 110.13 11.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ttt-85 -101.35 124.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -112.61 105.68 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -133.99 142.8 47.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -82.55 115.31 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -53.29 164.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.64 -25.45 39.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -73.18 -27.14 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 20.83 7.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -110.96 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.76 116.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -117.79 147.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 73' ' ' THR . 37.8 t -120.62 135.69 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 72' ' ' VAL . 1.2 m -123.53 133.3 54.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.502 HD11 ' CE1' ' A' ' 60' ' ' PHE . 6.4 tp -91.88 118.28 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.8 80.64 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 58' ' ' CYS . 53.8 Cg_endo -69.73 -176.53 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.84 178.77 4.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.07 -12.39 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -120.34 32.71 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 11.2 p -127.99 154.55 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.08 62.71 2.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -88.79 138.65 31.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -144.47 132.74 21.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' LYS . 30.5 t -120.85 147.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.48 30.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.85 -27.53 8.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' VAL . 49.8 pttt -87.04 170.61 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp85 -82.22 152.6 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 11.7 p -137.61 104.36 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 p -116.74 3.07 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 164.5 43.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.69 2.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.78 151.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.01 135.54 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 2.9 mm? -79.22 178.08 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.46 157.98 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -70.67 73.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.67 29.35 0.98 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 2.8 p30 -88.91 144.12 26.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 115.66 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.0 mt -110.13 119.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 mt -105.37 119.09 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.2 mtt -118.36 102.05 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.9 -120.53 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -67.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -127.46 62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -132.85 88.98 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.7 t -96.17 158.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -144.6 143.33 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -106.98 116.4 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -79.81 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -103.86 105.12 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -110.96 77.37 1.39 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.525 0.679 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.74 130.7 19.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -156.77 154.16 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.21 138.1 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.0 135.26 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -78.86 77.44 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -78.03 5.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 108' ' ' VAL . 48.3 m-20 -51.97 176.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 3.7 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.55 -47.78 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.32 162.27 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 23' ' ' CYS . 70.4 m-85 -126.46 128.73 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -90.61 119.86 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.76 127.18 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' NZ ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.59 173.37 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.16 83.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.28 -127.19 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.487 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 3.2 mm -129.78 116.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.7 m -105.46 95.5 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH1' ' NE2' ' A' ' 44' ' ' GLN . 10.2 mtm105 -72.26 117.99 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.74 113.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.32 -126.49 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.51 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.49 -22.21 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.54 142.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ALA . 8.2 mm-40 -34.87 -57.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -93.27 142.8 26.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -62.82 106.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' NE2' ' NH1' ' A' ' 34' ' ' ARG . 66.3 mm-40 -75.65 135.99 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.21 -54.22 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 26' ' ' TYR . 33.5 mt -105.39 123.58 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.31 132.1 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.494 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 64.0 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.46 HD12 ' CG ' ' A' ' 107' ' ' HIS . 28.5 mm -67.94 154.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -118.65 154.68 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -58.02 -38.65 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.0 mt-10 -121.22 36.37 4.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 8.5 t60 -36.63 -68.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' C ' HG13 ' A' ' 59' ' ' ILE . 2.8 p -148.58 -175.25 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 58' ' ' CYS . 15.8 mt -149.86 165.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -138.08 106.88 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 46.9 ttt180 -102.39 114.39 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -103.57 110.58 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.09 140.43 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.15 109.59 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.0 t -49.71 171.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -63.48 -17.23 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -81.72 -14.91 55.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.8 15.11 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.4 131.78 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.42 108.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.03 148.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 74.2 t -120.9 138.19 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 135.66 55.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD2' HG21 ' A' ' 89' ' ' VAL . 15.9 tp -95.6 122.14 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -107.6 80.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.46 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.74 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.0 179.94 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.5 -10.74 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.78 36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 5.3 m -159.15 161.38 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -97.2 114.17 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -135.0 145.43 48.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -149.56 141.41 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 65.6 t -140.66 135.9 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 60.98 25.75 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.8 4.44 85.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -120.82 162.72 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -67.86 138.14 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 15.0 p -120.52 96.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -112.15 -22.84 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -106.27 154.98 39.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.49 156.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -85.07 107.16 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 99' ' ' ASN . 2.9 mm? -46.48 171.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' ASN . 4.1 tpm_? -126.53 128.96 47.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ARG . 3.6 t -36.23 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.19 22.55 11.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.4 p-10 -72.64 134.44 45.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -89.14 109.21 20.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 102' ' ' ILE . 15.7 mt -104.91 138.94 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.441 ' N ' HG22 ' A' ' 101' ' ' ILE . 36.9 mt -126.24 109.59 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 15.9 mtt -100.48 147.16 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' HE2' ' A' ' 105' ' ' LYS . . . 47.8 -125.41 11.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -99.91 -75.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.29 45.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.46 ' CG ' HD12 ' A' ' 53' ' ' ILE . 7.6 m80 -117.05 60.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.454 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 t -83.28 154.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 73.0 m-85 -152.26 139.74 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -107.72 118.93 38.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.451 ' CZ ' HG23 ' A' ' 72' ' ' VAL . 81.0 t80 -79.93 101.78 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -86.45 131.26 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -141.18 80.52 16.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.554 0.692 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 12.5 p-80 -139.15 153.92 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -98.68 132.28 44.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -112.04 138.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.2 75.76 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -77.57 -1.44 30.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -62.53 -175.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 86.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.93 -36.05 56.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.33 162.52 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' CYS . 54.0 m-85 -136.18 135.39 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -92.75 134.02 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.7 mt -99.46 130.9 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -83.91 172.1 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.88 99.09 8.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.63 -122.71 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mm -128.22 122.81 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.7 m -111.73 104.46 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -80.55 107.76 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -89.89 121.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.08 -130.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 44.1 mt-30 -110.16 170.69 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.36 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -59.91 -34.62 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 55' ' ' GLU . . . -34.74 143.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.01 -41.62 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' ARG . 38.8 mmm-85 -113.26 115.39 28.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.0 tpt180 -34.94 127.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -90.75 136.78 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' NZ ' ' A' ' 29' ' ' LYS . 2.6 t70 -42.96 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mt -100.98 118.72 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 t -105.8 115.09 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.474 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 16.0 mm -72.11 151.29 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -119.61 143.88 47.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 7.9 tt0 -39.45 -42.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.9 mm-40 -119.82 44.19 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.3 t60 -36.81 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.7 p -142.64 -179.92 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 58' ' ' CYS . 11.0 mt -144.47 160.54 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 79.9 m-85 -136.18 117.96 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -99.9 105.34 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -104.61 90.99 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -126.25 146.75 49.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -80.27 104.24 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.6 t -41.71 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -53.35 -32.11 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -69.33 -24.19 63.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.51 16.01 14.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -108.0 126.95 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.76 132.61 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' ' CD ' ' A' ' 94' ' ' GLN . 6.6 mm -131.27 133.86 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 41.6 t -117.27 111.79 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.48 125.94 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.566 ' CD1' ' CZ ' ' A' ' 60' ' ' PHE . 3.0 tp -82.98 115.91 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.7 80.85 1.03 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.84 -175.99 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.33 178.94 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' CG ' ' HG2' ' A' ' 79' ' ' ARG . 14.3 pt-20 -87.18 -40.63 14.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.412 ' HG2' ' CG ' ' A' ' 78' ' ' GLU . 19.3 mmt85 -89.96 21.91 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -109.44 176.86 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.487 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 6.2 tt0 -123.38 54.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 1.3 m -91.96 148.35 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 60.8 m-85 -150.65 136.56 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.39 147.85 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 m120 56.13 30.16 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.49 2.66 69.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -117.73 174.59 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.52 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 10.1 tpt180 -80.07 143.79 33.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 14.5 p -132.18 104.15 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.1 t -107.1 -16.91 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -112.31 163.65 17.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.35 144.67 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.455 ' CD ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -80.01 109.39 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.5 mm? -48.34 151.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -115.15 132.59 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.0 t -43.67 107.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.43 38.08 5.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.79 141.85 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -89.63 133.42 34.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 mt -128.1 123.72 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.7 mt -107.63 126.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.39 100.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.05 -101.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.474 ' HD3' ' CD2' ' A' ' 52' ' ' HIS . 13.4 mmmt -120.8 -73.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -116.55 -0.47 12.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -66.81 78.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.481 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 1.6 t -101.25 162.02 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 5.7 m-85 -158.83 161.6 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.445 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 52.4 ttm-85 -112.72 142.06 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.454 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 41.3 t80 -89.9 127.19 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.4 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.7 t-20 -109.72 128.06 55.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -138.23 72.32 45.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -123.48 104.03 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -93.87 -65.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.13 108.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.929 0.395 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -52.41 151.92 3.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.05 -79.47 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.59 154.36 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 117.37 5.05 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.457 ' CB ' ' HA ' ' A' ' 27' ' ' TYR . 24.3 p-80 -137.24 150.6 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 mt -98.54 135.5 39.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.58 143.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.442 ' CG ' ' SD ' ' A' ' 20' ' ' MET . 32.1 t-20 -83.94 106.72 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 110' ' ' ARG . 1.4 pt? -113.84 7.12 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -48.32 173.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -87.87 14.48 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -109.92 80.82 1.84 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.73 24.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.89 -10.89 29.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' ' CG ' ' A' ' 13' ' ' ASN . 8.7 ptt? -38.57 122.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 p -82.69 -4.81 58.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -79.84 174.73 11.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 3.9 m -55.21 156.72 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.55 -38.45 21.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 27' ' ' TYR . 0.6 OUTLIER -145.06 174.5 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 76.1 m-85 -144.52 121.66 11.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -81.13 131.34 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -92.61 126.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -85.24 -174.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -88.35 123.38 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 134.71 -135.87 8.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.3 mp -116.03 119.95 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 m -107.86 96.92 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -73.65 126.98 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -106.48 102.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 -138.22 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -104.15 166.1 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.57 -1.2 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.88 -20.6 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.65 143.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -38.69 -43.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -108.42 162.82 13.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -77.54 109.22 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -77.9 130.94 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -55.03 -40.22 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mt -124.38 136.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.21 137.11 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.28 161.82 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -97.94 176.43 5.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.57 -172.24 40.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.05 -7.5 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -79.29 9.53 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.5 mm -102.1 157.23 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -123.69 153.71 40.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -53.52 -37.77 63.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -119.56 38.57 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -37.8 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.412 ' C ' HG13 ' A' ' 59' ' ' ILE . 23.5 p -149.24 -176.12 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' CG2' HG23 ' A' ' 32' ' ' ILE . 13.3 mt -144.63 158.68 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -128.12 109.43 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -100.61 124.49 46.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -121.46 107.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -137.86 145.35 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -80.31 104.13 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -41.06 158.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.77 -28.92 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -67.38 -29.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.0 17.9 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.428 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -110.92 139.42 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.59 116.17 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mm -117.83 151.04 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.35 132.12 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.21 131.53 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 10.7 tp -89.35 124.31 34.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.73 80.59 2.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.679 0.752 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -178.19 2.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -117.78 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -96.34 -14.15 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.79 31.47 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.6 p -133.57 149.51 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.57 99.16 11.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -128.65 135.51 49.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -132.02 133.76 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' GLY . 16.0 t -119.97 150.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 m120 40.01 25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . 101.57 -40.56 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.7 ptmt -82.56 -174.69 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -86.98 167.23 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.4 p -146.4 108.62 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.8 t -118.94 -18.03 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -108.68 156.46 38.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 93.61 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.72 156.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -78.02 141.3 38.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 95' ' ' LEU . 3.7 mm? -88.53 153.6 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -109.25 171.62 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -82.66 105.08 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.88 3.29 32.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.417 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -69.55 145.32 52.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' CG ' ' CG1' ' A' ' 108' ' ' VAL . 16.0 ttp180 -96.06 110.84 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.417 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 6.6 mt -109.25 114.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 103' ' ' MET . 1.8 mp -105.3 140.71 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.443 ' N ' HG23 ' A' ' 102' ' ' ILE . 1.6 mpt? -130.5 99.38 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.29 -106.04 1.95 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -121.57 -69.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -121.35 56.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -125.35 76.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.482 ' O ' ' CD1' ' A' ' 109' ' ' PHE . 7.4 t -84.0 161.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 33.2 m-85 -155.2 132.43 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.411 ' N ' HD21 ' A' ' 14' ' ' LEU . 32.5 ttt-85 -96.67 119.68 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -81.02 107.35 13.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -94.88 115.39 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 116' ' ' GLN . 2.0 t-80 -118.8 68.84 8.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.32 12.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.49 -45.48 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 0.1 OUTLIER -88.49 -43.79 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.42 -16.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -79.49 -31.95 42.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.12 -12.08 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -39.14 -36.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mmm-85 -70.21 -56.27 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -42.19 -44.19 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -40.98 162.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.29 139.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.5 m -123.07 -44.78 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -38.46 -63.64 0.95 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 164.8 33.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.9 p -121.43 142.42 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.3 m -119.91 177.67 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -39.51 114.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -124.73 -12.43 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 123.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -106.23 126.2 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -90.39 166.23 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 115' ' ' GLU . . . -63.42 127.96 38.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.98 145.59 33.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 137.17 35.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.399 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.482 ' CD2' HD22 ' A' ' 112' ' ' ASN . 45.0 p-80 -159.47 158.11 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 4.1 mt -98.5 132.4 43.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG21 ' ND2' ' A' ' 112' ' ' ASN . 2.5 t -109.73 137.21 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 7.1 p-10 -72.02 66.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.2 pt? -70.74 0.07 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -55.29 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -110.28 21.46 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.42 79.98 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -3.43 12.03 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.36 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.1 mt -95.18 -16.86 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 23' ' ' CYS . 23.2 ptm -35.67 122.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.2 t -87.08 -10.6 52.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -83.03 178.41 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 20' ' ' MET . 3.5 t -56.12 137.85 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.84 -25.56 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -149.41 161.83 41.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' N ' HD12 ' A' ' 25' ' ' LEU . 46.7 m-85 -129.36 121.52 27.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.81 140.12 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.8 mt -111.48 154.87 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -130.73 -174.68 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.08 132.7 35.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -130.65 6.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 10.7 mm -123.34 118.01 53.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.7 m -110.51 94.27 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -75.1 133.94 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.89 94.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . -152.6 -128.92 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 36' ' ' GLY . 17.7 mm-40 -116.11 175.31 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -1.6 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -98.36 -25.11 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.08 141.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -35.78 -55.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ARG . 5.3 mpt_? -105.5 121.99 45.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' ARG . 19.8 tpp180 -36.78 132.89 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -100.82 130.74 46.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.11 -51.31 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.8 mt -109.86 116.66 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 t -98.91 105.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.1 169.61 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -99.42 171.46 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.69 161.15 3.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.0 6.62 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -87.38 3.53 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 107' ' ' HIS . 6.8 mm -105.2 104.16 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -54.07 138.57 37.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -47.21 -28.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.04 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.491 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 6.9 t60 -43.86 -70.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 59' ' ' ILE . 29.6 p -142.16 -176.07 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 58' ' ' CYS . 22.8 mt -145.06 158.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 74' ' ' LEU . 36.6 m-85 -131.59 108.43 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 16.0 ttt180 -100.55 136.12 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -131.38 108.94 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 23.7 tp10 -139.27 147.68 42.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 17.0 ttm180 -80.52 105.47 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 t -40.61 160.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.32 -19.79 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -78.82 -23.25 45.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.35 24.5 6.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -118.32 136.96 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.915 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.88 116.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.0 mm -118.69 154.78 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.1 t -126.36 129.31 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 m -124.46 130.93 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 60' ' ' PHE . 6.1 tp -90.78 122.06 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.41 80.11 1.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 175.08 8.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.0 t -121.44 150.86 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -77.96 5.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -121.08 17.42 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.03 178.0 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.9 tt0 -116.75 79.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -103.04 148.53 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.474 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 84.6 m-85 -146.75 120.26 9.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 74' ' ' LEU . 44.2 t -122.18 137.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 61.4 32.8 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.41 1.77 66.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -120.38 176.36 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.474 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 6.8 tpt180 -86.83 139.55 30.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 14.9 p -123.09 107.76 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -110.98 -20.09 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -109.27 158.0 35.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.16 2.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.44 159.99 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -77.62 143.48 38.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.437 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 3.3 mm? -85.87 154.51 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.1 tpp180 -103.92 129.23 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 t -45.41 90.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 105.59 38.64 2.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 6.2 p30 -98.1 146.3 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -82.26 120.54 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.455 HG22 ' CE ' ' A' ' 103' ' ' MET . 17.5 mt -120.66 122.21 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 108' ' ' VAL . 16.9 mt -111.65 134.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.455 ' CE ' HG22 ' A' ' 101' ' ' ILE . 1.1 mpt? -132.89 98.25 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 92.64 -115.73 4.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -132.16 131.9 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.4 41.45 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.529 ' CD2' HD12 ' A' ' 53' ' ' ILE . 21.5 m-70 -127.47 53.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 102' ' ' ILE . 1.4 t -95.01 126.66 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.547 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -124.44 165.3 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.58 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 7.1 tpt180 -108.63 113.84 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.437 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 66.3 t80 -79.88 101.57 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.482 HD22 ' CD2' ' A' ' 10' ' ' HIS . 1.5 p30 -92.83 163.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 17.8 t-80 -159.09 73.92 3.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.36 3.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.283 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.9 mm-40 -86.77 -46.15 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.94 -39.46 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.71 -24.66 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -61.18 -39.32 89.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.07 -30.22 18.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.0 -31.56 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -69.19 -31.3 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.44 -16.52 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 124' ' ' THR . 16.5 tttm -88.4 151.35 22.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 1.3 t -97.32 148.06 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.9 t -101.82 177.95 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -166.34 75.63 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -46.78 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.724 2.283 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t -86.56 137.36 32.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t 50.12 38.18 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -146.06 149.68 34.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -97.9 177.55 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.3 63.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -115.29 -20.93 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -103.84 28.23 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.6 166.02 10.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.33 148.73 0.9 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.122 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 26.3 p-80 -151.73 158.93 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 109' ' ' PHE . 41.0 mt -105.73 126.88 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 112' ' ' ASN . 1.5 t -99.08 136.69 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 10.3 t-20 -82.74 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -76.51 6.74 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 108' ' ' VAL . 1.0 OUTLIER -48.36 177.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -98.68 7.09 46.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -107.44 80.8 0.95 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.13 6.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.9 mt -101.54 -15.16 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 ptt? -34.54 123.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.2 t -66.57 -10.32 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -78.35 176.24 9.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t -71.44 152.22 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.65 -38.37 90.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.59 174.17 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' N ' HD11 ' A' ' 25' ' ' LEU . 37.2 m-85 -134.84 121.51 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mt -80.9 120.49 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HZ2' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.94 175.58 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.88 94.13 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 171.78 -139.14 5.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' N ' ' HZ2' ' A' ' 29' ' ' LYS . 3.0 mp -120.21 103.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.2 m -94.69 94.44 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -64.01 145.06 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.522 HG21 ' CE2' ' A' ' 60' ' ' PHE . 5.3 t -118.47 108.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -144.48 4.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.63 161.12 13.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.92 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.66 -18.95 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -44.98 142.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ALA . 6.1 mt-10 -35.61 -58.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -179.72 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -97.37 100.69 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -76.52 123.75 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.45 -49.78 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.41 121.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.82 124.74 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -103.31 174.03 6.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -55.95 172.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.06 46.42 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.29 -66.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' ND1' ' NZ ' ' A' ' 105' ' ' LYS . 34.1 m170 -125.74 33.22 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 11.1 mm -104.22 155.33 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.7 mptt -110.16 143.77 39.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -49.91 -38.26 35.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 77.1 mt-10 -128.17 39.77 3.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 7.6 t60 -34.97 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 26.5 p -142.65 179.63 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 58' ' ' CYS . 17.8 mt -142.01 152.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.522 ' CE2' HG21 ' A' ' 35' ' ' VAL . 51.3 m-85 -116.78 112.77 21.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' NH1' HD13 ' A' ' 32' ' ' ILE . 35.5 ttm-85 -106.51 122.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.5 p -108.23 106.53 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.44 134.21 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 9.2 ttm180 -80.38 105.18 11.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.7 t -40.67 153.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -48.27 -25.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.5 p -71.2 -34.8 71.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 119.64 16.66 4.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' CD ' HD11 ' A' ' 71' ' ' ILE . 5.8 pt-20 -109.55 134.29 52.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.7 116.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.407 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.9 mm -120.2 133.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.2 t -107.02 137.95 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.38 136.05 53.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 tp -94.57 123.48 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.13 80.68 1.92 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.674 0.749 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.89 64.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.07 167.03 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -5.43 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -125.91 23.43 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -124.57 168.69 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' HIS . 5.2 mp0 -111.61 103.95 12.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.405 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 6.2 m -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 88' ' ' ARG . 94.0 m-85 -129.44 122.29 29.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.66 129.83 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 57.88 30.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.33 -32.65 5.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -84.2 175.75 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -95.62 132.33 40.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' CG1' ' CG2' ' A' ' 82' ' ' THR . 12.1 p -110.39 117.89 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -123.13 -14.86 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -114.72 160.62 32.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 95.62 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 m -116.99 158.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -81.61 135.36 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.52 146.99 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 97' ' ' SER . 9.0 tpp180 -99.31 125.36 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 96' ' ' ARG . 40.2 t -36.15 99.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 96.46 42.98 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' CD1' ' A' ' 101' ' ' ILE . 4.5 p-10 -98.57 137.82 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' HG2' ' CG1' ' A' ' 108' ' ' VAL . 15.2 ttp180 -82.4 111.92 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.517 ' CD1' ' ND2' ' A' ' 99' ' ' ASN . 6.5 mt -116.25 124.79 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 105' ' ' LYS . 17.4 mt -117.81 125.81 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 105' ' ' LYS . 7.2 mtt -106.49 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.78 -74.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 18.7 mmtm -80.57 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 108' ' ' VAL . 12.0 p-10 -78.17 9.53 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -63.81 74.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.493 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -90.99 135.1 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.402 ' CB ' HD23 ' A' ' 11' ' ' LEU . 98.5 m-85 -121.8 151.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -100.78 122.42 43.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 38.0 t80 -79.52 97.78 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 2.7 m120 -84.82 136.16 33.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -150.01 72.57 9.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 0.32 5.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -82.51 -47.16 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 116' ' ' GLN . 5.6 tp-100 -83.91 -45.64 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.55 -30.0 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -35.11 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -22.79 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.98 -36.1 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -69.66 -49.5 53.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.8 -40.31 60.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -65.19 148.69 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.5 t -52.85 -177.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -172.09 163.18 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.413 ' N ' ' HD2' ' A' ' 127' ' ' PRO . . . 164.35 -61.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 126' ' ' GLY . 53.9 Cg_endo -69.71 144.61 54.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 p -67.25 116.89 8.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.4 p -121.74 134.49 54.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -52.53 174.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -158.99 109.38 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.98 88.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -103.29 125.31 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -109.02 38.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.81 98.53 1.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.9 m -125.88 139.18 33.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.72 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.428 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 52.9 p-80 -140.01 150.52 44.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.24 136.01 44.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.36 139.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 16.5 t-20 -91.63 101.63 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -105.66 7.06 32.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -44.18 168.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.48 6.75 11.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.77 80.15 0.95 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.55 0.691 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -6.16 17.91 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.0 mt -102.7 -2.18 28.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.464 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 5.6 ptt? -35.7 114.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -60.69 -10.16 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.06 178.05 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 9.0 p -61.24 166.62 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 2.3 mm? -86.44 -32.99 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' CD1' ' HB2' ' A' ' 10' ' ' HIS . 0.6 OUTLIER -146.42 161.91 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.59 ' CE1' ' SG ' ' A' ' 23' ' ' CYS . 11.0 m-85 -118.62 127.39 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -95.12 98.93 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -66.57 160.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.99 -174.38 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 123.93 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.12 -137.91 9.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.0 114.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.0 m -104.23 98.65 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -75.91 133.93 40.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 2.9 t -112.55 131.91 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.42 -134.92 2.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -99.27 168.58 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.96 37.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -83.55 -24.62 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -40.56 136.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ALA . 5.6 mm-40 -35.13 -58.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.8 mpt_? -91.49 107.79 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -37.99 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 50.0 mm-40 -67.61 123.95 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -49.04 -44.7 41.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.4 115.95 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.19 127.06 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.29 155.14 17.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t -108.42 68.86 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.29 -162.1 10.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.06 -34.92 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.11 3.86 44.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 mm -67.38 145.77 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.83 157.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -48.04 -43.74 30.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' HIS . 79.7 mt-10 -122.18 42.27 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.7 t60 -34.6 -68.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.4 p -143.02 178.57 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -139.94 153.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' HD11 ' A' ' 74' ' ' LEU . 27.6 m-85 -127.43 108.64 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -100.74 136.47 40.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -125.1 108.11 11.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -134.34 144.22 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NH1' ' CG2' ' A' ' 70' ' ' VAL . 16.5 ttm-85 -80.44 106.54 12.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.4 t -41.59 157.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -55.37 -18.74 7.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -79.68 -23.33 42.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 18.99 9.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.78 132.06 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.959 0.409 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' CG2' ' NH1' ' A' ' 64' ' ' ARG . 54.7 t -68.99 126.74 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.2 mm -129.92 153.67 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.5 t -122.64 140.33 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.56 138.88 52.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 HD11 ' CE1' ' A' ' 60' ' ' PHE . 6.3 tp -97.47 116.46 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.2 79.83 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 175.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.326 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.2 t -113.18 154.31 26.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.76 -28.94 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -93.78 8.96 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -111.75 -177.91 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -134.08 113.31 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 83' ' ' TYR . 7.3 m -138.72 150.33 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.554 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 97.9 m-85 -142.87 122.9 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 t -112.49 123.16 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.33 35.97 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.74 -38.81 3.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -71.45 -176.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -104.83 138.74 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' N ' ' HE ' ' A' ' 88' ' ' ARG . 12.5 p -117.01 105.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 t -117.7 -2.36 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -127.04 157.98 70.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.15 161.38 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -81.25 141.8 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.72 153.8 21.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' GLY . 1.8 tmm_? -106.98 122.09 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -42.25 94.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 112.04 35.47 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.3 p30 -107.5 144.0 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' CB ' ' CZ ' ' A' ' 100' ' ' ARG . 1.1 mtp-105 -85.63 114.84 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.0 mt -114.78 107.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 103' ' ' MET . 5.0 mp -92.79 144.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.567 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.6 mpt? -126.21 99.05 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 66.82 -77.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -87.15 -175.53 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -76.19 49.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -106.71 80.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -84.13 150.33 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.424 ' CE1' ' SD ' ' A' ' 103' ' ' MET . 60.3 m-85 -133.82 142.48 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -97.13 112.28 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' GLY . 61.3 t80 -80.12 111.76 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.86 118.95 37.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 2.0 t-80 -124.3 78.75 60.68 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -37.57 8.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -59.47 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -40.08 94.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.69 -27.27 49.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -57.19 -24.78 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.9 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.02 -46.33 52.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -58.06 -32.98 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.5 5.28 18.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -42.79 -55.35 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.0 p -92.92 106.35 18.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.7 p -97.13 104.19 16.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.576 ' N ' ' CD ' ' A' ' 127' ' ' PRO . . . -141.9 44.75 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 126' ' ' GLY . 54.1 Cg_endo -69.75 -1.36 8.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t 45.96 41.63 8.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 m -71.84 76.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -147.09 111.59 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -96.81 87.28 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.41 60.57 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -77.26 80.04 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 73.7 m -75.6 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.66 46.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.5 m -61.29 139.25 94.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.542 0.687 . . . . 0.0 111.165 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 24.6 p-80 -160.26 154.54 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -102.1 126.06 48.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -101.92 131.98 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 50.9 t-20 -77.11 104.12 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -109.65 1.88 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -46.12 165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.28 6.87 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.46 80.45 0.91 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.14 3.81 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.6 mt -108.93 -13.14 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.46 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -35.57 123.05 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 t -69.76 -2.68 12.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.21 167.59 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 8.0 m -68.12 128.15 35.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD2' ' HE3' ' A' ' 20' ' ' MET . 6.1 mt -39.59 -53.02 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 10' ' ' HIS . 0.6 OUTLIER -142.9 167.45 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 23' ' ' CYS . 38.8 m-85 -132.56 142.43 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -99.3 106.99 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -69.01 127.4 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -84.46 176.32 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.36 128.36 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.88 -119.9 2.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.521 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 4.4 mm -127.75 122.62 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.3 m -119.27 94.34 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -78.41 127.87 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -99.34 100.65 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.09 -140.53 3.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -100.57 170.3 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.27 -11.63 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 24.0 t0 -92.0 -25.37 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.7 143.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.0 mt-10 -37.15 -57.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -92.74 144.6 25.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -62.0 96.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.13 126.13 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.34 -54.79 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -113.23 120.56 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -101.55 111.4 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -77.34 169.38 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -110.62 102.26 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.47 126.68 0.96 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.29 -30.27 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -56.41 -48.99 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -43.25 116.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -72.11 142.25 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -44.75 -34.24 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.78 53.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -51.17 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.5 p -146.82 -178.82 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.3 mt -141.77 158.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' A' ' 74' ' ' LEU . 40.8 m-85 -128.73 107.75 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -99.43 127.86 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -117.91 104.59 11.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -133.8 141.76 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.41 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 20.9 ttp180 -80.52 122.89 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -62.1 -175.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -71.69 -14.32 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 t -95.79 5.44 51.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 78.25 13.52 83.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.5 pt-20 -96.91 121.74 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.9 t -68.1 113.75 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -110.5 140.82 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.9 t -115.25 134.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.04 140.41 52.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' A' ' 60' ' ' PHE . 6.4 tp -101.93 127.27 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.66 80.77 5.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.452 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.82 171.26 14.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.12 179.23 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.21 -27.52 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -121.97 40.41 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.4 p -120.5 162.94 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -98.81 73.82 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -112.61 151.9 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 58.5 m-85 -154.72 126.77 7.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 101' ' ' ILE . 3.0 t -131.49 144.44 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 73.31 28.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.77 68.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -132.9 -175.04 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.566 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 19.6 ttp180 -76.38 148.09 37.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 15.0 p -127.2 99.29 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 m -113.91 15.54 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -146.85 153.58 46.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 103.25 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.2 m -118.89 154.63 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.92 99.31 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 74' ' ' LEU . 2.2 mm? -38.75 142.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -104.3 132.24 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -42.85 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.8 26.42 10.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.459 ' OD1' ' CB ' ' A' ' 111' ' ' PHE . 3.6 p-10 -80.82 145.85 31.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -90.19 120.45 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CG1' ' ND2' ' A' ' 99' ' ' ASN . 3.6 mt -116.38 145.3 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.3 mt -142.71 141.06 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -136.49 151.45 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' MET . . . 35.16 -103.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 6.6 mptt -147.21 137.68 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.47 27.45 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 105' ' ' LYS . 21.2 m80 -119.13 50.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.7 t -83.28 152.4 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -152.95 144.85 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -106.02 136.41 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' CB ' ' OD1' ' A' ' 99' ' ' ASN . 39.1 t80 -88.75 125.0 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.546 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.0 t-20 -116.31 103.07 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.0 t-80 -119.73 78.6 22.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.558 0.694 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.38 5.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.485 ' O ' ' CD ' ' A' ' 118' ' ' ARG . 5.3 tt0 -86.23 -47.19 9.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.82 -36.68 56.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.26 -14.19 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -73.11 -21.41 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ARG . . . -82.99 -21.58 33.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -41.38 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 122' ' ' GLU . 21.1 ptt85 -79.35 -49.2 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 121' ' ' ARG . 4.2 pt-20 -59.92 -42.88 94.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 122' ' ' GLU . 7.3 pttp -71.85 173.83 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.8 m -87.67 147.75 25.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.25 119.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -147.72 -170.97 16.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.42 68.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.7 p -95.26 178.23 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.3 p -113.75 98.35 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -157.99 145.86 18.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -102.07 175.4 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.11 98.59 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -124.89 111.17 15.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -133.1 148.0 52.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.59 134.18 11.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.1 m -142.48 139.22 17.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.556 0.694 . . . . 0.0 111.142 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -150.02 151.35 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.22 136.66 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.43 151.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -90.41 75.64 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -78.69 6.78 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.509 ' N ' ' ND2' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -48.63 177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.02 5.62 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -107.48 80.55 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' MET . 4.4 mt -108.64 -9.67 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -34.56 122.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 p -71.78 -1.85 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -85.72 169.85 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 89.0 m -50.9 148.49 4.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -87.37 -42.25 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.43 162.12 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 59.7 m-85 -132.16 124.76 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.81 106.88 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mt -69.12 122.87 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -86.27 159.33 19.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.39 76.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -172.04 -125.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 2.8 mm -131.88 112.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 45' ' ' ASP . 54.4 m -96.97 94.25 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -65.51 126.35 28.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.2 t -111.67 93.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.12 -138.58 2.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -91.2 163.16 14.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' CB ' HG12 ' A' ' 47' ' ' VAL . . . -88.77 -25.01 22.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' ALA . 59.0 m-20 -75.32 -20.17 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.28 152.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -34.46 -40.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -121.51 178.46 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -88.07 116.45 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -86.5 158.12 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' OD2' ' NZ ' ' A' ' 29' ' ' LYS . 1.6 m-20 -70.67 -63.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -100.02 108.77 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.406 HG12 ' CB ' ' A' ' 38' ' ' ALA . 12.3 t -92.57 122.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . 0.6 OUTLIER -98.83 178.53 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.8 t -120.91 179.07 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.76 -173.48 36.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.28 -8.27 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -89.62 39.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 54' ' ' LYS . 3.3 mm -134.58 162.06 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' HG21 ' A' ' 53' ' ' ILE . 42.0 mmtt -122.16 151.66 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.15 -45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.8 mm-40 -122.23 39.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.484 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 8.7 t60 -34.55 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.8 t -172.22 -179.74 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 58' ' ' CYS . 13.0 mt -156.44 168.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 28.0 m-85 -139.42 106.72 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 32' ' ' ILE . 33.9 ttt-85 -99.57 136.08 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -128.98 126.5 39.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -157.9 143.38 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -80.43 130.88 35.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 t -70.13 177.73 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -67.46 -9.01 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.6 p -100.53 0.36 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.3 84.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.7 pt-20 -86.93 119.85 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.15 108.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.8 mm -109.36 145.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 73' ' ' THR . 16.1 t -124.04 145.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -134.28 132.99 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.53 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 3.6 tp -96.91 140.91 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -125.03 81.97 62.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 146.99 61.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.33 -179.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -91.55 124.9 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 65.8 27.16 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -89.51 -174.49 4.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -115.45 78.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -132.19 122.95 26.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.127 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.14 130.96 53.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' LYS . 55.7 t -116.74 128.71 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 63.36 25.02 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.79 -28.38 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 84' ' ' VAL . 14.0 pttt -92.68 171.3 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 7.3 tpt180 -84.63 147.23 27.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 13.3 p -124.91 106.68 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -120.2 16.45 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.446 ' CG ' HG13 ' A' ' 93' ' ' VAL . 2.3 pt20 -142.54 155.38 63.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 94.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 73' ' ' THR . 32.6 m -118.58 167.94 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.65 141.24 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 3.4 mm? -87.51 161.59 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NH1' ' OE1' ' A' ' 116' ' ' GLN . 2.1 mmp_? -119.14 163.95 16.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -72.21 109.6 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.49 57.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.478 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 2.6 p30 -67.34 130.64 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -82.1 117.56 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 15.5 mt -114.82 113.22 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.91 122.45 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.433 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.3 OUTLIER -115.33 145.77 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 50.75 -116.9 4.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -116.97 -71.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -107.26 45.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.419 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 36.5 m-70 -125.28 58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.7 159.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -154.9 144.82 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -112.47 128.02 56.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -83.21 138.14 33.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.05 104.1 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 115' ' ' GLU . 8.0 t-80 -113.48 79.33 4.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 1.2 4.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' OE1' ' CE1' ' A' ' 113' ' ' HIS . 16.0 mp0 -83.5 -52.2 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.488 HE21 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -68.16 -45.56 73.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.488 ' N ' HE21 ' A' ' 116' ' ' GLN . . . -58.3 -11.29 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -73.55 -31.41 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 122' ' ' GLU . . . -85.7 -10.48 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -43.48 -43.49 5.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -76.94 -25.06 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' ALA . 43.5 mm-40 -79.98 -1.79 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -46.48 170.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.1 m -62.26 119.16 8.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 p -109.6 87.99 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -110.53 78.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 158.83 55.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.364 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.3 t -106.05 -37.66 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 t -109.24 98.94 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -85.73 132.56 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.391 . . . . 0.0 110.795 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -162.37 166.79 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.41 -130.44 2.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -94.17 -177.53 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 38.7 m -56.27 160.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.08 71.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.554 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -76.09 139.24 68.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.596 0.713 . . . . 0.0 111.172 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.75 144.27 53.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 44.4 p-80 -161.19 153.38 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -108.0 130.58 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.5 144.99 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.3 t-20 -90.08 75.39 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -77.27 6.22 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.96 164.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -84.16 3.63 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.6 80.12 0.9 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -6.51 18.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.5 mt -95.39 -13.63 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 7.6 ptt? -36.62 122.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -75.5 3.38 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 51.3 mp0 -87.43 -175.99 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.5 m -67.87 145.92 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 4.0 mm? -72.36 -41.5 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.94 163.45 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.412 ' N ' HD13 ' A' ' 25' ' ' LEU . 73.4 m-85 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -81.28 114.25 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.2 mt -79.89 107.6 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.157 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -101.64 77.99 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.412 ' C ' HD11 ' A' ' 32' ' ' ILE . . . -179.0 -118.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -115.53 125.35 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.543 ' CG2' ' CG ' ' A' ' 45' ' ' ASP . 98.1 m -126.33 99.09 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 44.9 mtt180 -83.87 130.92 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 60' ' ' PHE . 14.9 t -107.24 104.0 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.94 -142.97 3.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -102.57 162.48 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.1 -19.28 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.6 m-20 -68.94 -38.61 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' ARG . . . -34.1 133.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.4 mt-10 -35.04 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ALA . 13.4 mmt180 -119.97 104.7 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 54.0 ttt180 -34.99 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 7.6 mm100 -54.07 166.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.543 ' CG ' ' CG2' ' A' ' 33' ' ' THR . 0.3 OUTLIER -76.28 -55.21 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.542 ' N ' ' CG ' ' A' ' 45' ' ' ASP . 8.9 mt -107.51 114.21 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.36 124.41 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -109.42 162.02 14.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 m -105.88 159.42 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.37 167.96 20.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.87 -36.71 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -53.89 -17.71 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -79.27 149.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -119.97 149.97 41.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 4.9 pm0 -46.77 -34.58 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -129.17 39.79 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.518 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.5 t60 -38.96 -42.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.42 ' C ' HG13 ' A' ' 59' ' ' ILE . 4.0 t -167.36 175.39 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 58' ' ' CYS . 25.1 mt -144.96 166.49 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 80.2 m-85 -137.04 109.46 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -102.01 129.5 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 m -124.09 112.53 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 2.4 tm-20 -142.7 144.51 32.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -80.53 125.33 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -64.39 -179.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -68.76 -20.34 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -86.05 -2.63 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.35 6.28 78.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 3.5 pt-20 -91.84 126.62 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 47.5 t -66.54 100.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 10.6 mm -103.09 124.46 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 73' ' ' THR . 67.2 t -108.72 142.25 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 ' N ' HG13 ' A' ' 72' ' ' VAL . 1.6 m -131.56 151.14 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 60' ' ' PHE . 6.1 tp -102.13 153.26 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.59 80.89 13.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.25 171.3 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.66 -28.18 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -100.39 26.43 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -132.06 169.74 15.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -119.94 89.4 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -107.48 140.36 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 97.8 m-85 -133.25 126.21 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 87' ' ' LYS . 20.7 t -115.06 127.66 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.71 28.42 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.44 -24.05 24.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 84' ' ' VAL . 30.0 pttt -96.75 167.46 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 37.2 ttp180 -77.48 160.59 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 13.3 p -144.37 111.78 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.84 -18.37 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -112.37 155.68 43.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 111.85 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.11 156.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -75.66 119.96 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 2.7 mm? -64.53 153.28 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -106.99 140.5 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 t -57.23 92.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.83 29.24 2.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.438 ' ND2' ' CG1' ' A' ' 101' ' ' ILE . 6.2 p-10 -96.65 133.94 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -82.39 115.48 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' CG1' ' ND2' ' A' ' 99' ' ' ASN . 6.9 mt -108.82 116.72 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 103' ' ' MET . 4.8 mp -105.26 155.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.3 mpt? -140.87 105.52 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.74 29.09 73.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt 44.0 34.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -125.72 -32.29 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . 71.9 m-70 -127.68 131.94 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.0 t -128.6 114.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 107' ' ' HIS . 19.2 m-85 -121.21 154.74 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.8 tpp85 -112.1 132.15 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -79.46 132.97 36.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.534 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.0 t-20 -118.62 110.89 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 15.2 t-80 -124.93 80.73 63.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -23.78 30.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -62.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ARG . 4.9 tp-100 -61.3 -46.41 90.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.01 -26.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 5.6 ptm180 -62.36 -46.15 89.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 118' ' ' ARG . . . -84.71 -10.98 56.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -76.21 -24.8 54.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -41.02 6.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 123' ' ' LYS . 13.2 pt-20 -43.28 -42.59 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -35.51 143.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 124' ' ' THR . 91.2 m 41.15 42.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 p -65.74 112.9 3.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.78 154.49 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.12 22.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.314 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.03 -51.89 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.1 m -63.11 152.33 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -67.66 123.93 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -86.89 107.9 18.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.72 -69.63 1.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 56.12 40.97 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -106.4 101.61 11.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.02 3.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 ' CA ' ' OE2' ' A' ' 115' ' ' GLU . 84.4 m -132.88 139.2 33.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.77 139.88 41.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 30.4 p-80 -158.38 150.56 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -98.33 135.04 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.21 127.14 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.546 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.1 OUTLIER -66.35 74.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.6 pt? -76.46 7.26 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.48 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -107.44 7.69 29.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -107.45 81.17 1.02 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.48 12.09 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.9 mt -95.33 -20.3 19.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.459 ' HE1' ' CG ' ' A' ' 22' ' ' GLU . 4.2 ptt? -34.49 123.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.2 t -82.98 14.04 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' CG ' ' HE1' ' A' ' 20' ' ' MET . 7.1 pt-20 -98.09 -179.3 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 61.2 m -61.6 138.65 58.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' HE3' ' A' ' 20' ' ' MET . 5.5 mt -76.9 -41.04 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.62 163.43 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 56.9 m-85 -133.3 131.57 40.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -90.76 101.05 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.21 121.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HZ2' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -85.16 177.74 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -82.73 123.93 29.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 133.06 -128.02 4.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -113.23 127.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.0 m -131.17 95.16 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' OE1' ' A' ' 44' ' ' GLN . 36.5 mtt85 -76.53 146.84 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -117.59 124.68 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.28 -178.71 31.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' N ' HE21 ' A' ' 37' ' ' GLN . 1.1 mm-40 -45.6 164.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 47' ' ' VAL . . . -81.21 -46.46 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 64.5 m-20 -66.55 -16.7 64.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -34.6 136.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.8 mt-10 -34.86 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 5.3 mmp_? -112.04 136.89 50.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -54.59 125.74 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 42' ' ' ARG . 1.4 mm-40 -114.69 125.17 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.39 -51.54 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 HG12 ' CG ' ' A' ' 26' ' ' TYR . 20.0 mt -97.09 111.54 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 38' ' ' ALA . 5.0 t -95.49 124.19 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -112.82 -176.64 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 40.6 t -47.97 168.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -123.28 8.74 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.86 -20.51 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -129.4 -52.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 13.1 mm -56.98 153.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 13.5 mmtp -101.95 155.35 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -45.72 -43.53 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -126.87 48.85 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . 11.0 t60 -35.0 -66.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.2 p -144.09 179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.0 mt -134.4 159.44 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -134.18 109.08 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -106.89 107.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -101.71 110.69 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.64 143.01 45.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -80.39 125.15 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 t -62.57 -179.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.71 -29.05 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -77.18 -2.42 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.11 27.79 43.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.18 124.55 52.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 79.7 t -63.47 127.41 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mm -126.69 145.53 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 95.6 t -116.34 148.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.551 ' C ' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -138.07 157.76 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 95' ' ' LEU . 10.5 tp -122.87 116.83 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 82.39 2.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 166.62 26.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.95 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.83 -8.93 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -119.2 25.85 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -121.9 146.76 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -105.67 82.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -113.69 143.26 44.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 77.1 m-85 -134.35 111.27 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 87' ' ' LYS . 75.2 t -106.69 140.25 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.21 44.34 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.23 9.13 34.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . 22.6 mmtp -128.26 171.71 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 3.7 ttm180 -89.22 129.55 35.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.68 129.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -137.95 18.04 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' CG ' HG13 ' A' ' 93' ' ' VAL . 2.6 pt20 -149.85 156.29 38.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 93.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 91' ' ' GLN . 26.3 m -114.86 146.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.33 107.77 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.551 ' CD2' ' C ' ' A' ' 73' ' ' THR . 2.4 mm? -54.06 150.56 7.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' GLY . 3.8 tpm_? -103.47 137.45 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -54.54 84.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 127.19 17.24 2.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.431 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 1.7 p30 -84.88 133.99 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 ttm-85 -82.7 121.0 26.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.423 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 14.9 mt -119.61 129.71 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.451 ' C ' ' SD ' ' A' ' 103' ' ' MET . 4.1 mp -115.3 143.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -133.85 138.14 45.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.03 -107.69 2.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -115.37 -75.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.62 50.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' MET . 2.1 m-70 -116.82 75.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.452 ' O ' ' CG ' ' A' ' 109' ' ' PHE . 1.5 t -86.64 161.72 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 97.3 m-85 -159.92 135.49 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.569 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 21.6 ttt180 -100.34 120.23 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 6.9 t80 -79.21 101.18 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.495 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 10.9 m-20 -82.47 158.02 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 5.8 t-80 -161.1 78.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.34 5.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' OE1' ' CG ' ' A' ' 113' ' ' HIS . 48.6 mp0 -75.69 -60.94 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -43.34 26.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.27 -17.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.14 -33.02 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -46.92 -27.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.24 -33.4 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -77.55 -26.52 51.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.73 -31.7 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -43.49 167.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.4 m -40.24 102.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.3 p -130.45 131.41 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.69 147.14 43.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.93 8.76 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.27 14.64 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m -58.34 166.1 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -83.46 -9.97 58.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.31 147.66 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.76 110.95 2.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -51.58 100.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.42 -62.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' HG3' ' A' ' 115' ' ' GLU . . . 99.07 127.27 5.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.5 m -147.37 139.19 13.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.576 0.703 . . . . 0.0 111.157 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.7 129.15 17.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 56.5 p-80 -152.81 151.5 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.33 132.3 44.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.76 146.64 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.07 123.25 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -132.74 6.41 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -58.39 -177.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.05 6.11 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -108.41 80.61 1.18 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.19 3.78 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.4 mt -111.64 -8.65 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -34.73 123.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 m -60.9 -10.1 5.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -74.69 167.06 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.4 t -72.54 137.81 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.78 -38.42 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 170.14 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -140.94 121.54 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.56 109.24 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.88 107.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.22 174.16 8.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -83.48 113.55 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.48 -113.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mm -131.95 118.58 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 45' ' ' ASP . 17.3 m -109.3 95.21 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -74.37 129.74 38.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 60' ' ' PHE . 20.9 t -114.31 90.75 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.63 -112.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 20.1 mt-30 -121.82 177.76 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.59 -25.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 4.1 m-20 -71.76 -20.39 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -37.2 150.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.05 -41.13 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -107.25 178.47 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -84.06 90.77 7.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -60.74 130.05 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.42 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.9 t70 -53.14 -56.12 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 48' ' ' LEU . 14.5 mt -110.77 144.93 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 46' ' ' ILE . 60.2 t -126.24 123.11 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -119.53 160.66 21.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' ALA . 40.5 t -127.19 -72.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.616 ' N ' ' HE2' ' A' ' 107' ' ' HIS . . . 34.28 -94.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t60 75.39 50.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 23.6 mm -109.9 129.25 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -102.2 158.41 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -124.98 30.43 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 5.8 t60 -39.11 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.9 t -170.62 179.88 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 58' ' ' CYS . 11.0 mt -154.32 167.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 24.4 m-85 -143.28 116.72 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -99.37 145.67 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -129.57 123.03 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -156.97 131.41 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 4.6 ttm105 -80.33 121.33 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.463 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 37.3 t -54.1 179.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -71.09 -14.65 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -84.79 -37.24 21.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.22 14.74 2.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -102.97 131.59 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 38.4 t -72.14 108.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 72' ' ' VAL . 1.8 mp -85.21 154.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' N ' ' CG2' ' A' ' 71' ' ' ILE . 85.2 t -138.05 114.88 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.21 137.1 52.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.695 ' CD1' ' CZ ' ' A' ' 60' ' ' PHE . 6.1 tp -99.35 154.66 18.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 2.8 mm-40 -141.69 81.45 14.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 177.38 5.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -106.78 166.17 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -89.99 -6.19 55.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -125.12 29.91 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -130.47 -176.17 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.498 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 5.1 mp0 -129.07 92.9 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -121.01 124.04 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.83 122.38 42.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.9 t -116.41 129.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 63.8 28.72 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.61 -34.23 4.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.88 169.5 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -80.65 161.29 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 12.2 p -139.4 107.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 p -111.13 -21.57 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.421 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 3.4 mm100 -111.61 161.06 27.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 54.4 Cg_endo -69.72 116.53 4.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.97 152.8 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -75.41 124.73 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -70.44 156.15 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -110.85 144.44 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.8 t -54.22 105.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.43 41.31 4.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.436 ' ND2' HD13 ' A' ' 95' ' ' LEU . 8.1 p-10 -94.03 147.57 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -95.09 106.68 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.423 HG21 ' CE ' ' A' ' 103' ' ' MET . 4.9 mt -105.83 104.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.3 mt -97.4 120.25 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.469 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.0 OUTLIER -110.0 145.5 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.45 -98.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 -73.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -107.07 50.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.616 ' HE2' ' N ' ' A' ' 50' ' ' GLY . 14.2 m-70 -130.05 66.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.5 t -90.68 157.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -152.57 135.99 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -100.18 121.77 41.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.427 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 10.4 t80 -79.26 106.02 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.467 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 8.8 m-20 -88.1 112.99 23.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.423 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 1.9 t-80 -117.01 72.28 5.99 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.53 0.681 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.11 15.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.41 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 28.7 mt-10 -87.44 -59.39 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.21 -38.21 88.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.64 -18.18 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 21.0 ptt180 -73.6 -42.91 60.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 122' ' ' GLU . . . -50.89 -26.77 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.3 pt-20 -37.66 -39.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 122' ' ' GLU . 26.5 ptt180 -63.43 -46.36 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 119' ' ' ALA . 12.1 mm-40 -60.72 -38.74 86.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -85.67 145.32 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 136.29 57.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.2 t -79.71 -3.8 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.55 167.86 15.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.7 2.61 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.746 2.298 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -56.96 178.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.1 p -151.28 139.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -110.26 123.2 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -86.84 47.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.04 -136.97 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -114.33 37.49 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -124.75 53.66 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.26 145.13 3.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -141.42 145.56 38.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' N ' HG22 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.76 141.09 44.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -159.68 150.43 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -98.69 139.66 34.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.65 128.0 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 26.3 t-20 -79.37 95.71 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -101.55 6.76 42.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.611 ' N ' HD21 ' A' ' 15' ' ' ASN . 0.1 OUTLIER -45.06 161.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.65 5.25 6.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.53 80.57 1.59 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.31 3.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 3.3 mt -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -34.72 123.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.9 m -61.12 -9.32 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.98 -179.9 2.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.98 137.48 34.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.7 mm? -47.04 -45.14 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.39 167.24 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -130.74 135.29 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -91.65 127.73 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 60' ' ' PHE . 2.4 mt -95.7 103.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -92.18 79.38 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.66 -128.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.79 109.01 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.4 m -101.48 101.96 12.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 30.1 mtt-85 -76.91 109.55 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.79 114.03 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.64 -136.42 2.0 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 53' ' ' ILE . 11.8 mm-40 -102.17 176.45 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 47' ' ' VAL . . . -89.96 -28.15 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ALA . 9.0 m-20 -57.68 -36.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' CB ' ' CG ' ' A' ' 55' ' ' GLU . . . -34.0 150.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -64.18 -46.3 84.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -92.35 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ttp-105 -41.39 116.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 6.9 mm100 -79.97 157.87 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.58 -46.41 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mt -125.03 112.39 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 38' ' ' ALA . 21.3 t -98.62 111.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 121.0 19.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -82.79 149.88 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.56 -108.62 1.08 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.81 167.39 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.71 37.65 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.507 HD11 ' CD2' ' A' ' 107' ' ' HIS . 11.9 mm -110.61 93.94 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 5.8 mmpt? -53.74 136.3 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.567 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 7.9 tt0 -43.65 -34.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.8 mt-10 -121.27 41.01 3.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.2 t60 -34.41 -64.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.412 ' C ' HG13 ' A' ' 59' ' ' ILE . 30.3 p -156.7 176.64 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 58' ' ' CYS . 12.1 mt -141.52 161.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.459 ' CD2' HD12 ' A' ' 28' ' ' ILE . 48.6 m-85 -127.21 107.35 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -99.49 108.48 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 95.45 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -122.66 147.93 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 11.1 ttp180 -80.25 117.8 21.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -59.02 173.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -61.92 -19.51 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -88.31 -0.16 56.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.2 14.39 76.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.3 pt-20 -101.72 122.46 43.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 99.3 t -64.72 129.54 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.6 mm -130.27 140.85 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.6 t -117.33 134.48 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.74 135.52 50.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 16.0 tp -87.56 119.54 27.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.55 80.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.73 174.84 8.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.8 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.19 -37.42 26.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -106.55 34.31 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.8 p -105.31 139.55 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -95.4 59.16 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 83' ' ' TYR . 14.7 m -97.68 145.75 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.427 ' N ' HG23 ' A' ' 82' ' ' THR . 73.1 m-85 -140.89 113.3 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.6 t -109.18 130.38 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 m120 62.31 36.54 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.02 10.05 55.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -118.61 -178.66 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -92.49 129.42 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 15.0 p -112.55 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 p -109.13 -3.04 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' CB ' ' HD2' ' A' ' 92' ' ' PRO . 0.0 OUTLIER -131.9 167.0 24.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 91' ' ' GLN . 53.3 Cg_endo -69.79 116.51 4.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 144.7 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 27.4 mt-30 -67.3 137.53 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.493 ' HB3' ' CG ' ' A' ' 111' ' ' PHE . 3.0 mm? -86.86 143.53 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.687 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 3.5 tpm_? -106.53 122.04 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.74 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 130.09 22.71 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 96' ' ' ARG . 93.8 m-20 -90.49 -177.57 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -129.68 100.8 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 109' ' ' PHE . 9.6 mt -101.12 117.04 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mt -108.19 109.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.529 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.8 mtt -108.57 140.01 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 53' ' ' ILE . . . 80.46 -105.01 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.72 -67.32 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -122.55 46.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.2 OUTLIER -117.63 79.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.2 t -83.3 150.55 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 56.8 m-85 -155.75 127.2 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 5.3 ttp-105 -97.39 134.83 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 76.2 t80 -79.85 152.83 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -135.07 162.44 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.438 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 4.4 t-80 -168.34 80.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.64 16.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.54 -56.26 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -42.2 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.6 -13.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.05 -49.17 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -41.42 -57.72 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -47.04 -32.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.51 -44.38 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -49.17 -51.61 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.4 p -62.69 -36.81 84.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.7 t -137.92 108.98 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.43 -168.16 41.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.46 21.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 m -118.42 130.77 56.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.7 p -127.1 116.66 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -118.95 118.69 32.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 t -162.42 146.85 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.56 -175.99 14.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -137.08 128.26 27.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -113.63 171.52 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.93 -102.44 2.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 57.64 154.18 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.176 -179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' CB ' HG23 ' A' ' 72' ' ' VAL . 53.6 Cg_endo -69.78 97.14 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -118.35 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.33 130.12 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.53 156.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 35.6 t-20 -93.87 101.74 13.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.4 pt? -115.96 9.7 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -45.03 170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -78.14 9.34 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -107.34 81.0 0.95 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.566 0.698 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 0.17 5.99 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.9 -9.29 15.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.415 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -37.76 119.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -90.4 15.86 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -94.56 -163.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.5 143.63 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.12 -38.11 61.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.32 -179.79 6.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 52.5 m-85 -143.12 123.43 13.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' HD12 ' A' ' 25' ' ' LEU . 6.1 m-85 -92.33 138.53 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.85 127.34 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -172.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -102.09 79.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 170.54 -122.46 0.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.7 mp -114.77 134.24 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 m -128.1 104.44 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -80.31 110.58 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.29 142.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.17 -132.78 2.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -101.08 169.92 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.86 -24.25 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -75.82 -23.14 55.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -37.86 135.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.0 mt-10 -37.75 -36.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.7 mtm180 -114.44 109.98 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ARG . 49.8 ttt180 -36.41 118.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -88.5 133.03 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -47.6 -66.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 HG23 ' CD2' ' A' ' 48' ' ' LEU . 33.4 mt -101.94 119.1 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.91 119.95 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD2' HG23 ' A' ' 46' ' ' ILE . 2.9 mm? -90.09 161.13 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -91.63 -175.12 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 159.15 7.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.24 13.05 34.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -99.33 12.66 35.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mm -100.78 165.35 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' GLU . 38.0 mmtt -114.64 137.41 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' LYS . 3.9 mp0 -34.58 -46.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' HIS . 20.4 mt-10 -119.72 49.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.9 t60 -34.63 -69.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.7 m -148.95 -176.87 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.4 mt -140.35 154.38 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' A' ' 74' ' ' LEU . 44.7 m-85 -123.82 110.35 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -99.87 104.95 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.424 ' OG ' ' CG2' ' A' ' 72' ' ' VAL . 58.7 m -112.35 103.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.5 173.75 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 1.1 ttp-105 -80.46 108.57 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -49.62 178.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.13 -21.14 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 m -90.44 -1.93 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 92.42 0.21 70.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.0 pt-20 -93.72 124.6 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.91 113.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 49.4 mm -114.72 154.53 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 9' ' ' PRO . 67.4 t -124.63 133.42 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.64 135.27 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 6.5 tp -93.92 120.8 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -108.19 80.96 1.18 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.31 66.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.93 -174.56 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -84.95 126.06 33.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 64.03 39.03 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' THR . 2.0 p -100.29 126.34 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.58 75.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 80' ' ' SER . 1.0 OUTLIER -129.3 141.76 51.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -145.95 126.77 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 24.9 t -116.6 129.77 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m120 63.19 26.38 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.9 -28.03 10.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.18 161.73 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -71.82 165.28 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.4 p -145.58 108.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 t -120.24 -7.92 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -117.83 155.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.8 m -121.4 153.67 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 50.1 mt-30 -70.54 134.99 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.0 mm? -74.85 148.83 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 2.9 tpm_? -99.24 121.31 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.94 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 134.5 4.6 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -80.37 -174.09 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -136.38 108.33 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.437 ' CG2' ' HE3' ' A' ' 103' ' ' MET . 4.9 mp -93.82 120.74 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.409 ' CG1' HG13 ' A' ' 108' ' ' VAL . 26.3 mt -106.77 118.84 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.437 ' HE3' ' CG2' ' A' ' 101' ' ' ILE . 4.8 mtt -124.32 103.53 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.54 -99.58 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -130.57 -73.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -114.87 21.18 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -86.26 78.59 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.409 HG13 ' CG1' ' A' ' 102' ' ' ILE . 1.5 t -102.54 140.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -135.79 142.49 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.526 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 28.8 ttm-85 -96.65 129.01 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -80.99 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -124.52 103.11 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -111.73 74.26 1.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.93 15.51 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.26 -56.82 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -9.7 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -85.21 -30.75 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.73 -6.65 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.33 -23.99 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.67 -29.56 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 123' ' ' LYS . 17.6 pt-20 -60.59 -17.8 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.1 OUTLIER -34.01 150.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 89.5 m -43.36 128.03 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -92.99 49.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.71 -91.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 170.55 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.5 t 50.35 49.93 19.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 89.5 p -99.86 120.37 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -80.5 111.26 16.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -152.61 129.25 10.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.16 89.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -126.86 108.84 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -161.65 111.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.32 79.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.69 146.83 32.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.54 9.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -140.36 147.82 40.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.5 127.33 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.18 136.27 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 37.8 t-20 -83.97 77.2 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' NE ' ' A' ' 100' ' ' ARG . 1.6 pt? -76.59 6.71 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -46.63 172.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -96.9 17.66 16.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -108.51 80.2 1.14 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 0.37 5.74 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mt -114.13 -5.08 13.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.405 ' O ' ' CG ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -42.4 125.23 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -78.76 6.56 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -97.04 167.19 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 75.6 m -51.48 148.37 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.1 mm? -76.05 -43.85 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.7 161.35 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 23.8 m-85 -122.43 124.21 43.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -88.07 93.07 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 29' ' ' LYS . 2.7 mt -53.11 158.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 28' ' ' ILE . 5.3 mttp -104.9 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.73 78.35 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.36 -106.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 4.2 mm -131.89 130.92 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -134.1 102.83 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -76.53 140.66 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 t -118.14 109.33 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.46 -118.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -115.21 -178.52 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.91 -20.38 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' A' ' 55' ' ' GLU . . . -38.45 142.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -38.96 -36.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -113.36 139.91 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 29.6 ttp180 -65.68 110.73 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' CA ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -91.94 139.69 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.58 -58.63 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.8 116.89 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.3 t -105.46 114.47 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.6 154.55 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -58.77 163.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.74 64.95 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.98 76.52 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.346 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 53.89 42.07 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 54' ' ' LYS . 4.6 mm -103.74 158.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 53' ' ' ILE . 20.3 mmtt -107.23 151.36 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 36.1 mt-10 -53.77 -30.65 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.3 mt-10 -131.71 44.59 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.6 t60 -34.98 -70.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 p -142.84 178.96 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -140.08 153.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -123.47 112.41 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 23.4 ttp180 -105.77 114.83 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 t -113.46 101.62 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.41 147.67 51.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -80.89 104.26 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 t -42.14 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -20.14 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -15.28 49.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.86 9.35 46.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.23 125.43 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 89.9 t -63.71 131.18 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.7 mm -130.68 129.57 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 64.4 t -106.69 129.35 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.25 137.0 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 6.3 tp -97.77 117.47 32.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -109.16 80.71 1.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.71 175.85 7.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.88 -179.23 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -89.47 -35.35 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -97.73 36.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m -127.19 159.3 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -111.83 88.39 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.84 156.24 29.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.528 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 88.8 m-85 -153.18 117.68 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.7 t -113.71 132.8 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.1 m120 60.88 33.45 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.95 -23.91 4.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -90.36 -174.68 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' HE ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.63 143.62 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.58 ' N ' ' HE ' ' A' ' 88' ' ' ARG . 7.5 p -126.6 109.49 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -121.19 8.34 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -136.89 160.6 65.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 96.73 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -126.3 150.54 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -62.24 145.85 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 111' ' ' PHE . 1.9 mm? -87.17 146.64 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -99.12 119.42 37.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.99 87.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 129.78 12.01 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -87.38 150.34 23.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.455 ' NE ' HD12 ' A' ' 14' ' ' LEU . 7.2 ttm180 -93.24 101.69 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 18.0 mt -90.21 121.28 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.62 138.62 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.548 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 11.3 mtt -132.92 148.25 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.09 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' MET . 0.4 OUTLIER -154.37 142.35 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 47.88 34.7 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -130.82 65.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.436 ' O ' ' CG ' ' A' ' 109' ' ' PHE . 4.0 t -93.15 156.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 36.4 m-85 -158.07 143.42 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.0 ttp-105 -107.57 130.24 54.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 23.1 t80 -82.81 140.37 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -124.12 119.0 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.4 t-80 -133.85 74.78 68.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.78 3.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -93.51 -58.46 2.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.43 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.74 -18.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -66.88 -38.44 86.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.84 -7.02 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.99 -41.01 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -68.18 -23.12 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -84.49 21.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -109.39 -46.49 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 m -102.62 108.72 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -175.95 128.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.18 166.39 31.52 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 t -148.12 -178.08 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 130' ' ' GLY . 1.5 m -101.39 156.54 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -128.0 21.06 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -73.06 67.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.17 98.96 0.43 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -166.87 110.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -137.18 120.48 16.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.35 133.83 16.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 85.5 m -141.19 139.16 18.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.72 124.83 11.49 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 24.8 p-80 -141.3 166.97 23.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -120.31 129.73 54.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.98 158.65 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' CG ' ' HE3' ' A' ' 20' ' ' MET . 5.7 t30 -102.56 95.6 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 110' ' ' ARG . 1.4 pt? -104.64 7.03 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.592 ' ND2' ' N ' ' A' ' 108' ' ' VAL . 15.5 m120 -45.95 171.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.11 22.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.38 81.38 1.04 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 1.68 4.2 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.698 2.266 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' MET . 14.6 mt -104.1 -17.78 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.1 tmm? -34.35 123.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.4 t -109.01 -10.54 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -173.64 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 96.1 m -47.78 125.2 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 24' ' ' LEU . 2.2 mm? -72.08 -38.37 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.48 161.79 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 31.6 m-85 -128.72 131.06 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.74 119.27 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.93 120.43 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 164.54 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.24 73.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.34 -124.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -129.8 102.72 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 m -97.07 99.52 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -74.18 136.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 t -106.18 109.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.4 -133.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -109.93 175.46 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' CB ' HG13 ' A' ' 47' ' ' VAL . . . -89.66 -22.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -90.7 -10.71 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.34 160.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.24 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' GLN . 18.2 mmt85 -97.41 108.3 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . 5.4 ttp-105 -34.98 93.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ARG . 36.5 mm-40 -62.97 165.73 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.79 -51.62 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.2 107.81 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG13 ' CB ' ' A' ' 38' ' ' ALA . 21.4 t -92.54 106.22 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.21 173.73 5.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.47 138.95 54.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.82 -109.57 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.64 170.69 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.8 m80 58.23 33.8 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' LYS . 18.3 mm -104.41 93.55 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ILE . 1.7 mmmp? -38.26 129.79 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.95 -32.3 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.5 mt-10 -127.8 37.34 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' CD2' ' OG1' ' A' ' 82' ' ' THR . 7.0 t60 -34.52 -69.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.5 p -145.27 -179.25 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -140.23 159.45 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -123.7 107.45 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -99.92 112.14 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -110.41 91.0 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -117.15 142.84 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' CB ' ' CZ ' ' A' ' 64' ' ' ARG . 3.4 ttm105 -80.34 108.26 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -47.55 167.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.87 -12.67 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -88.01 -18.78 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.405 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 104.38 10.58 33.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.28 132.09 49.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -74.57 110.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.8 mm -104.67 132.72 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.4 t -109.05 132.91 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.6 145.7 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 11.1 tp -100.61 121.23 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.49 81.1 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.97 179.98 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.5 -44.04 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -100.13 34.0 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.1 p -112.65 118.71 35.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.48 70.64 7.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.49 ' OG1' ' CD2' ' A' ' 57' ' ' HIS . 2.2 m -101.76 146.43 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 88' ' ' ARG . 64.3 m-85 -147.5 113.69 5.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.17 135.07 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 55.08 23.41 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.07 66.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.1 143.73 51.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.572 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -63.94 135.21 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 7.0 p -128.39 114.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.7 p -120.66 -14.8 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 7.7 mm100 -112.22 161.0 28.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.4 Cg_endo -69.82 97.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.15 150.15 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.8 144.16 57.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 3.2 mm? -88.1 147.88 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -103.63 120.41 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 101.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 115.82 9.66 12.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -82.55 162.34 22.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.03 107.18 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 6.2 mt -98.08 117.9 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.6 mt -109.26 101.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.1 mtm -104.67 103.49 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.62 -103.64 3.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.46 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 24.7 mmtp -151.78 129.97 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.01 29.58 14.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' CE1' ' H ' ' A' ' 105' ' ' LYS . 29.4 m80 -115.86 51.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.592 ' N ' ' ND2' ' A' ' 15' ' ' ASN . 2.8 t -84.91 123.44 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -117.97 153.31 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 13.1 ttt-85 -105.14 115.72 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' GLY . 14.8 t80 -79.87 118.47 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.573 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 6.8 m-20 -116.07 115.32 25.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.37 80.82 69.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.88 21.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.67 -40.24 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.24 -44.19 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.32 -30.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -39.53 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.23 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -69.21 -39.6 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.81 -14.06 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -83.22 -47.14 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 171.69 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 t -169.53 152.07 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 t -159.8 -175.92 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.08 77.56 0.79 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.83 26.3 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 130' ' ' GLY . 39.7 t -135.38 128.84 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m 39.92 25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -50.4 -58.85 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 m -156.97 158.8 37.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.97 -76.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p 38.43 32.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -118.66 153.47 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.78 134.71 3.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -131.74 147.85 67.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' N ' HG23 ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.71 144.03 52.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -158.49 153.71 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.3 mt -104.08 125.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.95 142.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -87.25 73.73 9.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.6 pt? -73.93 3.44 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.3 166.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.1 pt-20 -96.58 -31.0 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.8 m-20 -32.6 96.03 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.4 Cg_endo -69.81 2.74 3.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.0 mt -111.24 -9.53 14.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.439 ' HE1' ' CD1' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -35.22 123.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.822 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -109.49 -9.24 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -80.85 166.91 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 t -49.6 142.26 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CD1' ' HE1' ' A' ' 20' ' ' MET . 3.3 mm? -61.1 -34.71 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.23 175.62 10.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 25' ' ' LEU . 45.8 m-85 -137.73 125.67 22.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.83 137.77 32.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -113.84 117.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.78 176.57 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.4 101.29 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.74 -118.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 59' ' ' ILE . 3.6 mp -129.04 106.29 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 1.3 m -91.76 100.94 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -79.74 116.93 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.78 129.95 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.13 -140.0 4.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 21.9 mm-40 -102.27 164.99 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.449 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . . . -81.12 -13.89 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ALA . 39.8 m-20 -82.39 -30.53 30.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.82 147.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' ALA . 2.6 pt-20 -34.54 -47.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -107.1 159.76 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -70.43 90.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 83.2 mm-40 -48.46 116.23 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -42.64 -31.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 29.3 mt -131.46 128.42 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 38' ' ' ALA . 87.8 t -115.05 107.14 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' CG2' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -87.28 174.42 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -100.53 -179.06 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.53 139.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.62 8.46 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -89.75 15.17 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 18.4 mm -107.32 162.46 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 18.5 mmtp -114.64 142.76 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -48.99 -29.71 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.3 mm-40 -131.9 39.84 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t60 -36.53 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.4 p -139.48 -179.12 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CG2' HG23 ' A' ' 32' ' ' ILE . 10.2 mt -144.04 161.75 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.89 125.43 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -113.46 120.93 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -114.49 111.58 21.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -143.49 153.17 42.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -84.21 128.64 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -69.6 166.29 19.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -54.7 -23.04 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 t -77.15 -28.54 54.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.63 23.93 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 pt-20 -114.99 121.67 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 74.6 t -60.42 109.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.68 150.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.8 t -119.85 140.62 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.86 135.16 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . 5.3 tp -94.66 126.59 40.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -111.34 80.17 2.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 154.61 67.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.06 179.86 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.71 4.75 30.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -118.78 11.0 12.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.62 -174.91 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.532 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.9 tp10 -128.07 100.46 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.441 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 1.7 m -119.99 149.74 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 84.5 m-85 -148.65 129.06 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 85' ' ' ASN . 85.5 t -127.64 136.56 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' HG12 ' A' ' 84' ' ' VAL . 8.6 m-80 63.67 25.23 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.94 0.77 90.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -119.25 170.95 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.765 0.317 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -78.38 151.13 32.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 11.1 p -134.07 98.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -111.46 -11.86 14.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -113.94 155.68 44.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.696 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 99.0 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.5 m -120.87 157.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.8 142.79 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -87.32 176.33 7.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.94 157.66 45.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.87 114.18 20.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.31 0.6 40.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -78.02 155.44 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -100.99 125.37 47.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 7.5 mt -123.27 119.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -108.87 136.2 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 mtt -132.47 105.78 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.12 -101.62 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 18.1 mmtp -118.83 -71.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -125.7 18.33 8.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CE1' ' A' ' 109' ' ' PHE . 1.7 m80 -79.37 75.77 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.73 147.71 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 107' ' ' HIS . 23.7 m-85 -144.0 147.82 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.433 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 36.3 ttm180 -105.51 125.22 50.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -86.18 132.13 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -123.34 124.7 43.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 9.6 t-80 -107.53 78.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.588 ' OE1' ' CD2' ' A' ' 113' ' ' HIS . 6.5 mp0 -82.58 -59.4 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -38.26 29.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.81 -8.89 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -81.19 -31.12 34.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.48 -19.83 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.02 -13.97 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -99.7 -41.04 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' LYS . 10.6 pt-20 -66.3 -51.3 58.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLU . 2.2 ptmm? 34.42 39.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 m -171.35 127.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.4 m -55.08 162.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -143.49 160.95 27.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.73 44.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.9 p -100.14 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.4 m -71.84 107.08 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -94.73 -37.21 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -43.9 131.83 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.58 78.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -130.11 74.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -40.68 -55.39 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.46 162.61 11.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.06 146.5 3.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.06 15.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.266 . . . . 0.0 112.346 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 35.4 p-80 -150.47 155.5 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD12 ' CE2' ' A' ' 60' ' ' PHE . 28.5 mt -104.72 136.87 43.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.57 148.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -90.27 83.57 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD2' ' N ' ' A' ' 110' ' ' ARG . 1.6 pt? -88.77 1.34 55.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -59.94 177.26 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ASP . 3.6 pt-20 -100.85 -12.65 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.4 m-20 -32.61 96.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.724 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.4 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.82 12.13 7.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.439 ' HE3' ' CD1' ' A' ' 24' ' ' LEU . 5.3 ptm -55.51 105.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -98.51 -9.53 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt-10 -79.78 150.67 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' GLU . 8.2 t -34.46 140.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' CD1' ' HE3' ' A' ' 20' ' ' MET . 2.6 mm? -63.88 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.56 164.37 32.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 23' ' ' CYS . 65.7 m-85 -135.55 124.29 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.68 130.58 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.8 mt -103.01 122.29 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -80.9 176.23 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.09 83.09 8.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -122.43 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 3.0 mm -128.47 113.02 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.0 m -111.72 98.24 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 42' ' ' ARG . 69.6 mtt180 -67.85 146.75 53.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.513 HG23 ' CD2' ' A' ' 60' ' ' PHE . 2.1 t -126.76 117.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' O ' ' CD2' ' A' ' 48' ' ' LEU . . . 176.1 -136.31 3.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -100.7 153.32 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.56 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ALA . 25.2 t70 -66.06 -29.51 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.18 147.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 mm-40 -37.07 -57.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 6.0 tpp85 -99.68 130.07 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.9 ttm105 -50.3 135.59 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.9 mm100 -110.95 143.32 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -63.72 -57.62 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' CG2' ' CD1' ' A' ' 48' ' ' LEU . 12.3 mt -96.4 125.36 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' C ' HD11 ' A' ' 48' ' ' LEU . 6.6 t -103.83 128.85 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' CD1' ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.65 103.7 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -126.06 131.86 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.0 -8.01 1.93 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -164.73 -177.36 4.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.35 111.73 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mm -146.22 135.05 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' GLU . 15.2 mmtt -91.9 133.8 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' LYS . 39.6 mt-10 -34.5 -44.11 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.5 mm-40 -120.4 49.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.9 t60 -34.67 -69.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.37 -178.71 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 mt -139.86 152.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.517 ' CE1' HD11 ' A' ' 74' ' ' LEU . 29.4 m-85 -114.94 107.82 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -100.14 135.8 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -129.86 121.43 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -146.44 139.17 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 64' ' ' ARG . 2.9 ttm105 -81.24 116.73 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 t -54.27 160.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.26 -26.83 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -27.1 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.89 21.27 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.5 128.07 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.62 111.44 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.437 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.0 mm -110.73 143.61 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.9 t -116.06 149.9 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.59 132.63 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.517 HD11 ' CE1' ' A' ' 60' ' ' PHE . 4.6 tp -96.43 129.76 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -112.15 79.92 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.694 0.759 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 167.67 23.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.38 138.78 37.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -22.55 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.96 36.48 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -127.76 105.76 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.23 99.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -137.97 134.77 35.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 84.2 m-85 -138.17 132.07 31.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 85' ' ' ASN . 23.1 t -130.78 141.37 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.438 ' N ' HG11 ' A' ' 84' ' ' VAL . 5.3 m120 62.9 31.6 16.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.62 83.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -128.21 177.9 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 20.5 ttp85 -86.3 149.55 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 14.9 p -130.67 96.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -113.38 30.81 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.51 160.93 23.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.54 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -118.71 152.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 30.2 mt-30 -70.07 139.57 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 74' ' ' LEU . 1.7 mm? -83.65 170.58 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 96' ' ' ARG . 4.5 mmm180 -135.3 162.36 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.55 115.2 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.0 48.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.45 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -68.2 147.93 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.64 104.64 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.45 ' CG1' ' OD1' ' A' ' 99' ' ' ASN . 6.9 mt -100.97 124.02 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mt -115.97 122.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.67 147.23 35.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.409 ' HA3' ' ND1' ' A' ' 107' ' ' HIS . . . 54.98 -104.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -130.81 -63.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -110.32 31.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.409 ' ND1' ' HA3' ' A' ' 104' ' ' GLY . 5.7 m80 -108.41 66.43 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.4 t -84.51 153.41 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -156.4 148.02 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.431 ' N ' ' CD2' ' A' ' 14' ' ' LEU . 31.3 ttt180 -117.32 117.69 30.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.405 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 58.6 t80 -79.59 123.16 27.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.409 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 23.3 m-20 -109.95 140.5 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 24.4 t-80 -139.34 80.6 22.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -20.1 35.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.468 ' O ' ' CD ' ' A' ' 118' ' ' ARG . 40.8 mt-10 -64.0 -53.99 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -44.1 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.01 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 5.2 ptm180 -66.29 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.92 -51.23 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -62.64 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -57.94 -53.09 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -58.49 -45.68 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -44.95 141.92 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 93.1 m -83.18 -54.57 4.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -87.4 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.07 -82.17 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 75.77 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.454 ' HG ' ' N ' ' A' ' 129' ' ' SER . 16.1 t -142.3 166.81 23.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.454 ' N ' ' HG ' ' A' ' 128' ' ' SER . 78.5 p -163.98 165.71 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -152.35 173.12 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.15 121.69 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.82 43.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -79.32 165.66 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -96.34 29.78 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.64 101.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 83.7 m -114.25 139.21 23.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 54.0 Cg_endo -69.8 131.99 22.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.27 154.37 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.32 117.02 32.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.75 133.34 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -78.96 125.5 29.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -125.73 12.69 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -51.46 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -101.43 9.8 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 81.26 1.01 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.801 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -4.94 15.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 2.5 mt -95.75 -17.64 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -34.35 124.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -87.19 26.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -117.23 170.92 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 4.5 t -49.08 157.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -104.51 -19.35 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.61 157.45 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 23' ' ' CYS . 57.4 m-85 -135.17 138.2 43.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -88.69 144.26 26.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.06 110.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -54.71 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -104.24 78.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.01 -106.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mm -128.53 126.06 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.6 m -121.39 104.4 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -78.51 128.44 33.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.34 104.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.01 -148.76 5.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -87.19 162.64 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.67 -37.26 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.71 -14.43 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.31 141.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -37.79 -57.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' ARG . 10.8 tpp180 -97.6 111.34 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 tpt180 -34.52 132.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -106.75 164.42 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 29' ' ' LYS . 24.7 t70 -85.14 -64.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.435 HG21 ' CD2' ' A' ' 48' ' ' LEU . 6.4 mt -96.86 117.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.6 t -99.94 111.57 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 46' ' ' ILE . 2.1 mm? -76.04 156.16 34.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -43.71 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.37 -2.73 15.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ILE . . . -60.44 -175.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -48.48 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ALA . 30.3 mm -141.21 153.92 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.23 150.92 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.62 -30.0 62.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.5 mt-10 -129.51 41.58 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.6 t60 -36.69 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 59' ' ' ILE . 7.8 p -146.61 -175.11 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 58' ' ' CYS . 12.2 mt -143.9 159.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -132.44 112.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -101.35 128.74 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.52 97.71 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -126.98 141.58 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -80.39 113.7 18.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -51.51 166.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -58.81 -18.49 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -80.57 -25.49 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.74 19.35 8.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' CD ' HD11 ' A' ' 71' ' ' ILE . 3.7 pt-20 -110.01 126.53 54.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 43.4 t -67.17 98.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.405 HD11 ' CD ' ' A' ' 69' ' ' GLU . 3.3 mm -95.83 152.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 96.9 t -125.8 131.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 1.1 m -122.79 138.48 54.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 89' ' ' VAL . 7.2 tp -96.0 126.33 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -114.39 80.74 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 172.07 13.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.658 2.238 . . . . 0.0 112.377 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.9 -179.28 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -86.96 -36.45 18.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -91.89 17.87 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -119.57 142.9 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -101.85 97.98 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -121.29 142.39 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.589 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 75.7 m-85 -137.66 111.71 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 87' ' ' LYS . 18.3 t -106.19 134.48 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m120 61.75 21.6 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.57 3.93 77.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' VAL . 8.0 ptpp? -125.11 156.91 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.589 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 1.4 ttm180 -73.45 132.95 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 74' ' ' LEU . 7.1 p -110.17 114.25 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.6 m -122.11 21.91 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -148.44 154.13 41.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.24 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 73' ' ' THR . 16.9 m -115.73 159.54 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.8 99.75 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -38.33 148.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.31 120.86 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -36.33 114.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 95.2 10.81 56.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.4 ' ND2' ' CG1' ' A' ' 101' ' ' ILE . 8.9 p-10 -78.52 130.92 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -82.25 111.21 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CG1' ' ND2' ' A' ' 99' ' ' ASN . 7.0 mt -108.02 121.52 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 mt -109.05 119.38 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.8 mtm -120.03 99.49 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.35 -107.72 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -116.45 -67.07 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -124.49 8.36 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -72.24 91.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 t -113.09 146.05 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -139.37 155.53 47.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' CD ' ' HA2' ' A' ' 98' ' ' GLY . 2.4 tmm_? -106.04 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 37.1 t80 -79.39 107.09 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -93.44 111.66 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.424 ' CE1' ' H ' ' A' ' 116' ' ' GLN . 2.1 t-80 -113.55 77.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -28.24 25.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.72 -60.28 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.424 ' H ' ' CE1' ' A' ' 113' ' ' HIS . 9.1 tt0 -69.93 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 113' ' ' HIS . . . -54.7 -19.61 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 119' ' ' ALA . 3.1 ptm180 -77.03 -36.87 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 118' ' ' ARG . . . -66.86 -30.01 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -48.52 -29.44 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -70.44 -33.61 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -88.66 -14.64 36.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -40.16 -34.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.3 t -43.63 167.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.0 p -57.54 168.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.85 66.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 p -99.91 -25.02 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.3 p -108.6 10.48 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.426 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -101.09 124.79 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -103.08 110.96 23.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.9 126.57 1.53 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -145.3 155.84 43.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -101.7 167.53 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.05 131.05 10.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 85.0 m -141.8 139.23 18.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.83 130.84 19.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -151.36 145.83 25.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -99.33 130.37 45.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.7 144.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -88.04 71.33 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.48 -1.32 8.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -49.81 163.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' ASP . 15.3 pt-20 -91.89 -18.81 23.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' GLU . 2.0 m-20 -32.61 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.1 Cg_endo -69.79 0.42 5.7 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.4 mt -126.39 8.67 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -36.25 122.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 m -112.42 6.63 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.97 -174.98 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 26.7 m -73.78 121.89 21.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' CYS . 1.5 mm? -35.39 -48.7 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.22 172.81 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 23' ' ' CYS . 44.2 m-85 -134.01 123.7 25.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -86.51 107.94 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -78.32 119.15 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -75.45 173.65 10.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.31 83.9 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' C ' HD13 ' A' ' 32' ' ' ILE . . . 179.44 -127.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 HD13 ' C ' ' A' ' 31' ' ' GLY . 2.1 mp -119.04 114.53 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -110.59 95.29 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.0 mtm-85 -71.52 133.7 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.08 127.13 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.17 -130.17 1.97 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -100.43 167.73 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.334 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 47' ' ' VAL . . . -84.9 -26.15 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -87.41 -8.07 56.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.03 149.15 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -44.04 -56.08 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' GLN . 5.1 mmp_? -94.35 114.03 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' ARG . 34.8 ttp180 -37.28 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' ARG . 35.7 mm-40 -65.68 104.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' GLN . 7.7 t0 -34.98 -54.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -102.53 124.4 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 38' ' ' ALA . 20.3 t -107.84 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.81 160.73 32.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -137.88 107.25 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.52 -94.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.46 169.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.9 m80 53.81 34.69 19.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 mm -97.32 150.61 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -116.17 142.96 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 22.4 mp0 -39.62 -35.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.91 54.36 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -41.17 -51.01 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.4 p -158.69 -176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 58' ' ' CYS . 45.1 mt -144.83 154.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -127.8 108.88 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -105.03 119.94 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -109.59 99.57 8.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.07 134.91 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 13.6 ttm180 -80.42 107.4 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -46.89 168.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.43 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 p -76.71 -16.51 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 97.31 21.25 20.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -113.82 134.22 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.2 t -72.82 118.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.36 122.7 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.0 t -100.17 127.72 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.24 136.23 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.9 tp -97.25 121.65 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -109.43 79.7 1.35 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.81 169.17 19.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 t -109.68 148.48 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.18 -2.12 23.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -119.68 38.83 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 m -147.49 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -122.75 94.87 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -124.37 138.53 54.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -132.94 123.77 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.7 t -120.91 135.79 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.94 25.47 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.32 -3.64 85.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -114.08 -179.83 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -90.69 129.64 36.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 10.6 p -104.81 91.02 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -105.91 16.47 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -147.65 154.77 44.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 101.75 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.86 168.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -88.98 132.36 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.41 157.34 35.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -108.92 139.94 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -53.41 93.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.8 17.22 11.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 0.2 OUTLIER -77.24 136.97 38.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -83.77 114.94 21.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 9.5 mt -114.13 113.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.446 HG13 ' CG2' ' A' ' 108' ' ' VAL . 4.1 mp -101.06 152.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.485 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 22.8 mtt -144.17 149.96 37.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.502 ' HA3' ' CD2' ' A' ' 107' ' ' HIS . . . 64.18 -87.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -132.51 -66.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -125.25 9.99 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.502 ' CD2' ' HA3' ' A' ' 104' ' ' GLY . 1.6 m-70 -68.1 80.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.446 ' CG2' HG13 ' A' ' 102' ' ' ILE . 2.2 t -97.57 154.65 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.78 144.66 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -96.43 114.22 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.46 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 38.7 t80 -83.93 97.41 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -89.16 114.77 26.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 31.5 t-80 -119.57 79.16 21.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.79 3.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 35.5 mm-40 -78.79 -61.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -46.18 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.96 -17.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -68.27 -32.92 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.58 -21.28 26.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.35 -44.29 84.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -45.61 86.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -71.85 -26.13 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -51.22 110.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.18 157.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 p -132.61 121.93 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.66 148.42 18.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.92 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.646 2.23 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.81 -50.33 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 t -125.49 136.05 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -115.1 139.39 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -64.92 -53.46 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.19 -92.94 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t 53.33 43.88 30.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.931 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -118.58 -60.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.7 135.39 32.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 83.9 m -135.36 139.2 30.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.571 0.7 . . . . 0.0 111.161 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.71 135.72 31.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -158.4 154.45 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.59 130.67 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 129.06 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -81.13 77.63 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.76 6.15 9.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -49.63 178.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -109.72 -19.36 13.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLU . 14.8 m-20 -32.74 96.05 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.612 0.72 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.3 Cg_endo -69.73 -6.22 18.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.08 21.52 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -79.34 122.37 26.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -112.86 -7.63 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -80.34 163.76 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 9.0 t -39.07 154.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 24' ' ' LEU . 3.1 mm? -83.21 -29.68 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.02 168.33 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 23' ' ' CYS . 65.8 m-85 -138.27 128.57 26.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -88.52 129.35 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.7 mt -92.39 125.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.68 165.18 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.94 109.99 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.91 -130.09 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.83 123.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.3 m -110.11 98.7 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.12 124.72 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.92 102.12 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.8 -130.2 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -102.73 170.57 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 47' ' ' VAL . . . -90.22 -13.42 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -92.84 -17.41 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.45 149.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -45.71 25.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' GLN . 9.8 ttm180 -101.07 116.69 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -43.71 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 9.3 mm100 -68.15 128.87 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.62 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.0 mt -97.65 137.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 38' ' ' ALA . 3.8 t -123.86 133.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.75 168.22 9.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -98.55 -178.96 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.0 -179.07 53.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.2 -1.3 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -82.28 1.2 37.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.4 mm -96.12 155.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -117.6 152.07 35.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 6.6 mp0 -49.22 -36.1 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.91 42.57 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 9.3 t60 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.435 ' CB ' ' HA ' ' A' ' 76' ' ' PRO . 3.3 m -151.31 -177.16 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 58' ' ' CYS . 14.1 mt -143.9 159.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.502 ' CE1' HD11 ' A' ' 74' ' ' LEU . 25.7 m-85 -130.79 110.13 11.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ttt-85 -101.35 124.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -112.61 105.68 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -133.99 142.8 47.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -82.55 115.31 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -53.29 164.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.64 -25.45 39.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -73.18 -27.14 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 20.83 7.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -110.96 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.76 116.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -117.79 147.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 73' ' ' THR . 37.8 t -120.62 135.69 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 72' ' ' VAL . 1.2 m -123.53 133.3 54.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.502 HD11 ' CE1' ' A' ' 60' ' ' PHE . 6.4 tp -91.88 118.28 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.8 80.64 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 58' ' ' CYS . 53.8 Cg_endo -69.73 -176.53 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.84 178.77 4.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.07 -12.39 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -120.34 32.71 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 11.2 p -127.99 154.55 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.08 62.71 2.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -88.79 138.65 31.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -144.47 132.74 21.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' LYS . 30.5 t -120.85 147.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.48 30.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.85 -27.53 8.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' VAL . 49.8 pttt -87.04 170.61 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp85 -82.22 152.6 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.49 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 11.7 p -137.61 104.36 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 p -116.74 3.07 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 164.5 43.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.69 2.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.4 m -136.78 151.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.01 135.54 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 2.9 mm? -79.22 178.08 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.46 157.98 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -70.67 73.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.67 29.35 0.98 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 2.8 p30 -88.91 144.12 26.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 115.66 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.0 mt -110.13 119.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 mt -105.37 119.09 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.2 mtt -118.36 102.05 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.9 -120.53 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -67.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -127.46 62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -132.85 88.98 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.7 t -96.17 158.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -144.6 143.33 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -106.98 116.4 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -79.81 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -103.86 105.12 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 116' ' ' GLN . 33.5 t-80 -110.96 77.37 1.39 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -36.39 11.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.8 -44.27 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 7.1 tp-100 -80.96 -47.02 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.45 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -68.98 -39.38 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.37 -28.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.53 -39.49 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -88.42 -34.62 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -75.03 4.33 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -76.09 -61.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.9 t -62.52 -18.03 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 p -84.28 147.28 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -125.31 170.18 17.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.14 25.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 p -109.93 147.46 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.8 m -163.44 170.72 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -121.76 11.23 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -138.39 138.13 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.22 177.7 15.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -117.86 98.78 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 p -145.3 144.64 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.57 142.92 16.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.7 m -146.99 139.15 13.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.525 0.679 . . . . 0.0 111.205 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.74 130.7 19.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 p-80 -156.77 154.16 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.21 138.1 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.0 135.26 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -78.86 77.44 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -78.03 5.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 108' ' ' VAL . 48.3 m-20 -51.97 176.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 19.9 pt-20 -103.58 -26.46 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLU . 34.9 t0 -32.65 96.06 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.0 Cg_endo -69.82 2.65 3.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.334 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.26 -13.04 11.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 20' ' ' MET . 9.4 ptt? -39.26 121.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -116.33 -3.83 11.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.99 -178.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 3.7 m -59.48 120.76 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.55 -47.78 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.32 162.27 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 23' ' ' CYS . 70.4 m-85 -126.46 128.73 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -90.61 119.86 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.76 127.18 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' NZ ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.59 173.37 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.16 83.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.28 -127.19 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.487 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 3.2 mm -129.78 116.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.7 m -105.46 95.5 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH1' ' NE2' ' A' ' 44' ' ' GLN . 10.2 mtm105 -72.26 117.99 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.74 113.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.32 -126.49 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.51 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.49 -22.21 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.54 142.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ALA . 8.2 mm-40 -34.87 -57.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -93.27 142.8 26.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -62.82 106.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' NE2' ' NH1' ' A' ' 34' ' ' ARG . 66.3 mm-40 -75.65 135.99 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -62.21 -54.22 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG12 ' CD2' ' A' ' 26' ' ' TYR . 33.5 mt -105.39 123.58 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.31 132.1 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.494 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 0.8 OUTLIER -103.32 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.09 158.58 20.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.808 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.85 169.25 24.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.19 -0.88 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 64.0 m-70 -88.17 -14.7 37.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.46 HD12 ' CG ' ' A' ' 107' ' ' HIS . 28.5 mm -67.94 154.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -118.65 154.68 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -58.02 -38.65 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.0 mt-10 -121.22 36.37 4.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 8.5 t60 -36.63 -68.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' C ' HG13 ' A' ' 59' ' ' ILE . 2.8 p -148.58 -175.25 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 58' ' ' CYS . 15.8 mt -149.86 165.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -138.08 106.88 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 46.9 ttt180 -102.39 114.39 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -103.57 110.58 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.09 140.43 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.15 109.59 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.0 t -49.71 171.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -63.48 -17.23 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -81.72 -14.91 55.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.8 15.11 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.4 131.78 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.42 108.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.03 148.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 111' ' ' PHE . 74.2 t -120.9 138.19 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 135.66 55.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD2' HG21 ' A' ' 89' ' ' VAL . 15.9 tp -95.6 122.14 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -107.6 80.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.74 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.0 179.94 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.5 -10.74 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.78 36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 5.3 m -159.15 161.38 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -97.2 114.17 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -135.0 145.43 48.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -149.56 141.41 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 65.6 t -140.66 135.9 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 60.98 25.75 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.8 4.44 85.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -120.82 162.72 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -67.86 138.14 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 15.0 p -120.52 96.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -112.15 -22.84 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -106.27 154.98 39.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.49 156.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -85.07 107.16 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 99' ' ' ASN . 2.9 mm? -46.48 171.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' ASN . 4.1 tpm_? -126.53 128.96 47.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ARG . 3.6 t -36.23 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.19 22.55 11.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ARG . 4.4 p-10 -72.64 134.44 45.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -89.14 109.21 20.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 102' ' ' ILE . 15.7 mt -104.91 138.94 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.441 ' N ' HG22 ' A' ' 101' ' ' ILE . 36.9 mt -126.24 109.59 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 15.9 mtt -100.48 147.16 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' C ' ' HE2' ' A' ' 105' ' ' LYS . . . 47.8 -125.41 11.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -99.91 -75.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.29 45.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' CG ' HD12 ' A' ' 53' ' ' ILE . 7.6 m80 -117.05 60.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.454 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 2.5 t -83.28 154.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 73.0 m-85 -152.26 139.74 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -107.72 118.93 38.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.451 ' CZ ' HG23 ' A' ' 72' ' ' VAL . 81.0 t80 -79.93 101.78 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -86.45 131.26 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -141.18 80.52 16.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -44.04 2.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -41.62 -54.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 116' ' ' GLN . 6.9 tp-100 -79.11 -48.09 14.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 120' ' ' GLU . . . -45.26 -22.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -61.17 -41.79 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.95 -7.64 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.3 pt-20 -40.27 -40.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -33.71 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.36 16.07 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -83.22 145.78 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -44.48 167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.4 p -159.81 111.29 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.02 158.21 11.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.83 36.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.7 m -117.78 54.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.4 p -107.64 111.56 23.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -125.08 34.95 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -93.27 18.17 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.6 112.81 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -146.7 117.7 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -56.39 123.91 16.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.22 127.99 2.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -140.26 139.17 20.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 111.163 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 12.5 p-80 -139.15 153.92 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -98.68 132.28 44.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -112.04 138.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.2 75.76 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -77.57 -1.44 30.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -62.53 -175.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 mp0 -118.09 -15.8 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLU . 27.7 m-20 -32.67 96.03 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 54.0 Cg_endo -69.72 -2.63 10.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.4 mt -105.32 -23.22 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.462 ' O ' ' CG ' ' A' ' 20' ' ' MET . 2.8 ptm -36.06 120.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 p -109.12 6.77 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -93.8 155.69 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 86.1 m -39.83 160.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.93 -36.05 56.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.33 162.52 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' CYS . 54.0 m-85 -136.18 135.39 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -92.75 134.02 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.7 mt -99.46 130.9 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -83.91 172.1 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.88 99.09 8.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.63 -122.71 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mm -128.22 122.81 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.7 m -111.73 104.46 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -80.55 107.76 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -89.89 121.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.08 -130.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 44.1 mt-30 -110.16 170.69 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.36 -24.36 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -59.91 -34.62 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 55' ' ' GLU . . . -34.74 143.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.01 -41.62 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' ARG . 38.8 mmm-85 -113.26 115.39 28.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.0 tpt180 -34.94 127.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -90.75 136.78 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' OD2' ' NZ ' ' A' ' 29' ' ' LYS . 2.6 t70 -42.96 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mt -100.98 118.72 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.6 t -105.8 115.09 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -84.99 165.36 17.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.3 m -119.53 98.07 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.12 -171.54 27.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.18 6.46 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.474 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -122.67 0.68 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 16.0 mm -72.11 151.29 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -119.61 143.88 47.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.569 ' CG ' ' CB ' ' A' ' 40' ' ' ALA . 7.9 tt0 -39.45 -42.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.9 mm-40 -119.82 44.19 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.487 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.3 t60 -36.81 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.7 p -142.64 -179.92 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 58' ' ' CYS . 11.0 mt -144.47 160.54 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 79.9 m-85 -136.18 117.96 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -99.9 105.34 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -104.61 90.99 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -126.25 146.75 49.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -80.27 104.24 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.6 t -41.71 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -53.35 -32.11 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -69.33 -24.19 63.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.51 16.01 14.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -108.0 126.95 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.76 132.61 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' ' CD ' ' A' ' 94' ' ' GLN . 6.6 mm -131.27 133.86 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 41.6 t -117.27 111.79 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.48 125.94 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.566 ' CD1' ' CZ ' ' A' ' 60' ' ' PHE . 3.0 tp -82.98 115.91 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.7 80.85 1.03 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HG3' ' CG2' ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.84 -175.99 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.33 178.94 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' CG ' ' HG2' ' A' ' 79' ' ' ARG . 14.3 pt-20 -87.18 -40.63 14.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.412 ' HG2' ' CG ' ' A' ' 78' ' ' GLU . 19.3 mmt85 -89.96 21.91 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -109.44 176.86 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 6.2 tt0 -123.38 54.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 1.3 m -91.96 148.35 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 60.8 m-85 -150.65 136.56 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 82.6 t -131.39 147.85 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 m120 56.13 30.16 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.49 2.66 69.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -117.73 174.59 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.52 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 10.1 tpt180 -80.07 143.79 33.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 89' ' ' VAL . 14.5 p -132.18 104.15 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.1 t -107.1 -16.91 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -112.31 163.65 17.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.305 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.35 144.67 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.455 ' CD ' ' CG2' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -80.01 109.39 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.447 ' CD2' ' HB2' ' A' ' 74' ' ' LEU . 2.5 mm? -48.34 151.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -115.15 132.59 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.0 t -43.67 107.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.43 38.08 5.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -109.79 141.85 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -89.63 133.42 34.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 mt -128.1 123.72 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.7 mt -107.63 126.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.39 100.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.05 -101.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.474 ' HD3' ' CD2' ' A' ' 52' ' ' HIS . 13.4 mmmt -120.8 -73.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -116.55 -0.47 12.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' A' ' 107' ' ' HIS . 0.1 OUTLIER -66.81 78.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.481 ' C ' ' CD1' ' A' ' 109' ' ' PHE . 1.6 t -101.25 162.02 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 5.7 m-85 -158.83 161.6 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . 52.4 ttm-85 -112.72 142.06 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.454 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 41.3 t80 -89.9 127.19 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.4 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.7 t-20 -109.72 128.06 55.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 7.3 t-80 -138.23 72.32 45.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -4.15 13.42 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 13.4 mt-10 -81.07 -49.11 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 116' ' ' GLN . 5.3 tp-100 -83.41 -43.12 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.37 -18.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 119' ' ' ALA . 2.8 ptm180 -78.49 -36.46 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.454 ' N ' ' HG2' ' A' ' 118' ' ' ARG . . . -75.92 -7.84 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 119' ' ' ALA . 10.2 pt-20 -36.78 -39.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.72 -41.29 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -50.95 -23.45 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -55.19 158.67 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.0 m -43.31 103.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -73.98 104.08 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.77 -172.87 30.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.01 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -133.15 107.07 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.5 p -102.9 -176.61 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 117.37 5.05 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 25' ' ' LEU . 24.3 p-80 -137.24 150.6 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 mt -98.54 135.5 39.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.58 143.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -83.94 106.72 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -113.84 7.12 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -48.32 173.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HG ' ' HE1' ' A' ' 26' ' ' TYR . 3.9 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.7 mm? -83.55 -38.45 21.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -145.06 174.5 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.896 ' N ' HD12 ' A' ' 25' ' ' LEU . 76.1 m-85 -144.52 121.66 11.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.813 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -81.13 131.34 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -92.61 126.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -85.24 -174.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -88.35 123.38 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.777 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 134.71 -135.87 8.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.777 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.3 mp -116.03 119.95 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.881 HG23 ' HB3' ' A' ' 45' ' ' ASP . 20.7 m -107.86 96.92 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' HA ' HG23 ' A' ' 59' ' ' ILE . 40.2 mtt180 -73.65 126.98 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG12 HD21 ' A' ' 48' ' ' LEU . 4.9 t -106.48 102.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 -138.22 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -104.15 166.1 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.57 -1.2 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.88 -20.6 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.65 143.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -38.69 -43.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -108.42 162.82 13.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -77.54 109.22 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -77.9 130.94 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 33' ' ' THR . 28.2 t0 -55.03 -40.22 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mt -124.38 136.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.21 137.11 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.719 0.295 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -102.1 157.23 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -123.69 153.71 40.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -53.52 -37.77 63.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -119.56 38.57 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -37.8 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.432 ' C ' HG13 ' A' ' 59' ' ' ILE . 23.5 p -149.24 -176.12 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 60' ' ' PHE . 13.3 mt -144.63 158.68 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' ILE . 16.9 m-85 -128.12 109.43 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -100.61 124.49 46.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 72' ' ' VAL . 15.4 m -121.46 107.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -137.86 145.35 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 17.0 ttm180 -80.31 104.13 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -41.06 158.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.77 -28.92 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -67.38 -29.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 112.0 17.9 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.428 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -110.92 139.42 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.59 116.17 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mm -117.83 151.04 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.481 HG22 ' OG ' ' A' ' 62' ' ' SER . 87.1 t -126.35 132.12 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -125.21 131.53 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.008 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.7 tp -89.35 124.31 34.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.73 80.59 2.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.679 0.752 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.865 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.83 -178.19 2.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -117.78 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -96.34 -14.15 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.79 31.47 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.6 p -133.57 149.51 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.57 99.16 11.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -128.65 135.51 49.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -132.02 133.76 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' GLY . 16.0 t -119.97 150.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 m120 40.01 25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . 101.57 -40.56 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.7 ptmt -82.56 -174.69 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -86.98 167.23 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 76' ' ' PRO . 9.4 p -146.4 108.62 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.8 t -118.94 -18.03 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -108.68 156.46 38.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 93.61 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.452 ' C ' HG23 ' A' ' 73' ' ' THR . 33.2 m -116.72 156.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -78.02 141.3 38.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mm? -88.53 153.6 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.25 171.62 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -82.66 105.08 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.88 3.29 32.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.599 ' OD1' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.55 145.32 52.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HG2' HG13 ' A' ' 108' ' ' VAL . 16.0 ttp180 -96.06 110.84 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 103' ' ' MET . 6.6 mt -109.25 114.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.532 ' CG1' HG22 ' A' ' 108' ' ' VAL . 1.8 mp -105.3 140.71 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.498 ' CE ' HG22 ' A' ' 101' ' ' ILE . 1.6 mpt? -130.5 99.38 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.29 -106.04 1.95 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -121.57 -69.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -121.35 56.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -125.35 76.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.532 HG22 ' CG1' ' A' ' 102' ' ' ILE . 7.4 t -84.0 161.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 33.2 m-85 -155.2 132.43 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 14' ' ' LEU . 32.5 ttt-85 -96.67 119.68 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 75.0 t80 -81.02 107.35 13.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -94.88 115.39 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -118.8 68.84 8.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 137.17 35.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.399 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.499 ' CD2' HD21 ' A' ' 112' ' ' ASN . 45.0 p-80 -159.47 158.11 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 4.1 mt -98.5 132.4 43.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 ' ND2' ' A' ' 112' ' ' ASN . 2.5 t -109.73 137.21 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 7.1 p-10 -72.02 66.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.2 pt? -70.74 0.07 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -55.29 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.832 0.348 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.84 -25.56 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -149.41 161.83 41.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.769 ' N ' HD12 ' A' ' 25' ' ' LEU . 46.7 m-85 -129.36 121.52 27.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 25' ' ' LEU . 22.8 m-85 -82.81 140.12 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.8 mt -111.48 154.87 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -130.73 -174.68 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.08 132.7 35.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -130.65 6.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 10.7 mm -123.34 118.01 53.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 45' ' ' ASP . 23.7 m -110.51 94.27 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -75.1 133.94 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 48' ' ' LEU . 4.6 t -111.89 94.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.6 -128.92 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.564 ' HA ' HG13 ' A' ' 47' ' ' VAL . 10.1 mm100 -116.11 175.31 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -1.6 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -98.36 -25.11 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -42.08 141.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -35.78 -55.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ARG . 5.3 mpt_? -105.5 121.99 45.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' ARG . 19.8 tpp180 -36.78 132.89 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -100.82 130.74 46.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.688 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.0 t70 -51.11 -51.31 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.8 mt -109.86 116.66 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG13 ' HA ' ' A' ' 37' ' ' GLN . 22.3 t -98.91 105.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 35' ' ' VAL . 1.1 mm? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.833 HG21 HD23 ' A' ' 48' ' ' LEU . 6.8 mm -105.2 104.16 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -54.07 138.57 37.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 3.4 pm0 -47.21 -28.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.04 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 6.9 t60 -43.86 -70.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 29.6 p -142.16 -176.07 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 22.8 mt -145.06 158.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 36.6 m-85 -131.59 108.43 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 16.0 ttt180 -100.55 136.12 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -131.38 108.94 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 23.7 tp10 -139.27 147.68 42.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 17.0 ttm180 -80.52 105.47 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 t -40.61 160.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.32 -19.79 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -78.82 -23.25 45.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.35 24.5 6.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG3' HD11 ' A' ' 71' ' ' ILE . 5.4 pt-20 -118.32 136.96 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.915 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.88 116.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' A' ' 69' ' ' GLU . 10.0 mm -118.69 154.78 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 95' ' ' LEU . 58.1 t -126.36 129.31 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 m -124.46 130.93 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.883 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -90.78 122.06 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.41 80.11 1.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.844 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 175.08 8.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.0 t -121.44 150.86 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -77.96 5.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -121.08 17.42 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.03 178.0 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.553 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.9 tt0 -116.75 79.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -103.04 148.53 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 84.6 m-85 -146.75 120.26 9.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 74' ' ' LEU . 44.2 t -122.18 137.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.4 32.8 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.41 1.77 66.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -120.38 176.36 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 6.8 tpt180 -86.83 139.55 30.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -123.09 107.76 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -110.98 -20.09 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -109.27 158.0 35.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.16 2.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.44 159.99 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -77.62 143.48 38.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.3 mm? -85.87 154.51 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.1 tpp180 -103.92 129.23 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 t -45.41 90.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 105.59 38.64 2.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 6.2 p30 -98.1 146.3 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.464 ' NH1' HG11 ' A' ' 108' ' ' VAL . 38.1 mtp85 -82.26 120.54 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.524 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.5 mt -120.66 122.21 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 108' ' ' VAL . 16.9 mt -111.65 134.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.524 ' SD ' HG22 ' A' ' 101' ' ' ILE . 1.1 mpt? -132.89 98.25 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' A' ' 53' ' ' ILE . . . 92.64 -115.73 4.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -132.16 131.9 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.4 41.45 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.74 ' ND1' HD11 ' A' ' 53' ' ' ILE . 6.4 m80 -127.47 53.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -95.01 126.66 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.547 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -124.44 165.3 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.959 ' HB2' HD22 ' A' ' 14' ' ' LEU . 7.1 tpt180 -108.63 113.84 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 66.3 t80 -79.88 101.57 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.499 HD21 ' CD2' ' A' ' 10' ' ' HIS . 1.5 p30 -92.83 163.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -159.09 73.92 3.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.283 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.553 0.692 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' CD2' HD13 ' A' ' 25' ' ' LEU . 26.3 p-80 -151.73 158.93 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 60' ' ' PHE . 41.0 mt -105.73 126.88 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.641 ' CG2' ' ND2' ' A' ' 112' ' ' ASN . 1.5 t -99.08 136.69 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -82.74 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.791 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -76.51 6.74 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.581 HD22 ' HA ' ' A' ' 107' ' ' HIS . 9.0 m-20 -48.36 177.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.65 -38.37 90.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.858 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.59 174.17 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.858 ' N ' HD12 ' A' ' 25' ' ' LEU . 37.2 m-85 -134.84 121.51 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mt -80.9 120.49 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.94 175.58 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.88 94.13 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 171.78 -139.14 5.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.665 HD11 ' NH1' ' A' ' 61' ' ' ARG . 3.0 mp -120.21 103.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 45' ' ' ASP . 21.2 m -94.69 94.44 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 59' ' ' ILE . 91.2 mtt180 -64.01 145.06 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG21 ' CE2' ' A' ' 60' ' ' PHE . 5.3 t -118.47 108.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -144.48 4.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.63 161.12 13.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.92 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.66 -18.95 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -44.98 142.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ALA . 6.1 mt-10 -35.61 -58.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -179.72 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -97.37 100.69 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -76.52 123.75 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.819 ' HB3' HG23 ' A' ' 33' ' ' THR . 6.0 t0 -54.45 -49.78 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.41 121.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.82 124.74 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' ND1' ' NZ ' ' A' ' 105' ' ' LYS . 34.1 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.749 0.309 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 11.1 mm -104.22 155.33 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.7 mptt -110.16 143.77 39.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -49.91 -38.26 35.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 77.1 mt-10 -128.17 39.77 3.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 7.6 t60 -34.97 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 26.5 p -142.65 179.63 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.8 mt -142.01 152.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 35' ' ' VAL . 51.3 m-85 -116.78 112.77 21.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.665 ' NH1' HD11 ' A' ' 32' ' ' ILE . 35.5 ttm-85 -106.51 122.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.5 p -108.23 106.53 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.44 134.21 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 9.2 ttm180 -80.38 105.18 11.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.7 t -40.67 153.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -48.27 -25.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.5 p -71.2 -34.8 71.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 119.64 16.66 4.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' CD ' HD11 ' A' ' 71' ' ' ILE . 5.8 pt-20 -109.55 134.29 52.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.7 116.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.9 mm -120.2 133.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 95' ' ' LEU . 53.2 t -107.02 137.95 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -125.38 136.05 53.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.912 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -94.57 123.48 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.13 80.68 1.92 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.674 0.749 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.804 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 155.89 64.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.07 167.03 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -5.43 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -125.91 23.43 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -124.57 168.69 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' HIS . 5.2 mp0 -111.61 103.95 12.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.599 HG21 HD21 ' A' ' 74' ' ' LEU . 6.2 m -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 88' ' ' ARG . 94.0 m-85 -129.44 122.29 29.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 101' ' ' ILE . 21.7 t -116.66 129.83 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.2 m120 57.88 30.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.33 -32.65 5.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -84.2 175.75 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -95.62 132.33 40.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.804 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.1 p -110.39 117.89 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -123.13 -14.86 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -114.72 160.62 32.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 95.62 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -116.99 158.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -81.61 135.36 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -81.52 146.99 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 97' ' ' SER . 9.0 tpp180 -99.31 125.36 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 96' ' ' ARG . 40.2 t -36.15 99.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 96.46 42.98 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.716 ' OD1' HD11 ' A' ' 101' ' ' ILE . 1.3 p30 -98.57 137.82 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.65 ' HG2' HG11 ' A' ' 108' ' ' VAL . 15.2 ttp180 -82.4 111.92 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.716 HD11 ' OD1' ' A' ' 99' ' ' ASN . 6.5 mt -116.25 124.79 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.823 HG12 HG22 ' A' ' 108' ' ' VAL . 17.4 mt -117.81 125.81 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' HG11 ' A' ' 35' ' ' VAL . 7.2 mtt -106.49 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.78 -74.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 18.7 mmtm -80.57 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 p-10 -78.17 9.53 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.581 ' HA ' HD22 ' A' ' 15' ' ' ASN . 28.9 m-70 -63.81 74.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -90.99 135.1 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CB ' HD22 ' A' ' 11' ' ' LEU . 98.5 m-85 -121.8 151.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.9 ttp180 -100.78 122.42 43.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 38.0 t80 -79.52 97.78 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.641 ' ND2' ' CG2' ' A' ' 12' ' ' VAL . 1.5 m-80 -84.82 136.16 33.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -150.01 72.57 9.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.9 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.72 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CD2' HD13 ' A' ' 25' ' ' LEU . 52.9 p-80 -140.01 150.52 44.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.24 136.01 44.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.36 139.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 16.5 t-20 -91.63 101.63 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.817 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.3 pt? -105.66 7.06 32.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -44.18 168.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 9.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.835 0.35 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 2.3 mm? -86.44 -32.99 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.42 161.91 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.0 m-85 -118.62 127.39 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.9 m-85 -95.12 98.93 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 29' ' ' LYS . 8.7 mt -66.57 160.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -127.99 -174.38 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 123.93 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.12 -137.91 9.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.0 114.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 45' ' ' ASP . 34.0 m -104.23 98.65 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -75.91 133.93 40.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.003 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -112.55 131.91 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.42 -134.92 2.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -99.27 168.58 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.96 37.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -83.55 -24.62 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -40.56 136.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ALA . 5.6 mm-40 -35.13 -58.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.8 mpt_? -91.49 107.79 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -37.99 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 50.0 mm-40 -67.61 123.95 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.799 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.5 t70 -49.04 -44.7 41.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.4 115.95 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.19 127.06 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.003 HD21 HG12 ' A' ' 35' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 mm -67.38 145.77 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.83 157.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -48.04 -43.74 30.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' HIS . 79.7 mt-10 -122.18 42.27 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.7 t60 -34.6 -68.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.4 p -143.02 178.57 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -139.94 153.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.43 108.64 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -100.74 136.47 40.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -125.1 108.11 11.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -134.34 144.22 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.908 ' NH1' HG23 ' A' ' 70' ' ' VAL . 16.5 ttm-85 -80.44 106.54 12.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.4 t -41.59 157.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -55.37 -18.74 7.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -79.68 -23.33 42.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 18.99 9.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.78 132.06 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.959 0.409 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' NH1' ' A' ' 64' ' ' ARG . 54.7 t -68.99 126.74 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.2 mm -129.92 153.67 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG12 HD23 ' A' ' 95' ' ' LEU . 83.5 t -122.64 140.33 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.56 138.88 52.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 89' ' ' VAL . 6.3 tp -97.47 116.46 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.2 79.83 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.661 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.81 175.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.2 t -113.18 154.31 26.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.76 -28.94 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -93.78 8.96 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -111.75 -177.91 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -134.08 113.31 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.525 HG21 HD21 ' A' ' 74' ' ' LEU . 7.3 m -138.72 150.33 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 97.9 m-85 -142.87 122.9 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.714 HG22 HG12 ' A' ' 101' ' ' ILE . 6.5 t -112.49 123.16 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.33 35.97 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.74 -38.81 3.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -71.45 -176.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -104.83 138.74 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 74' ' ' LEU . 12.5 p -117.01 105.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 t -117.7 -2.36 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -127.04 157.98 70.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.15 161.38 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -81.25 141.8 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.72 153.8 21.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' GLY . 1.8 tmm_? -106.98 122.09 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -42.25 94.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 112.04 35.47 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.3 p30 -107.5 144.0 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.576 ' NH2' HD11 ' A' ' 102' ' ' ILE . 1.1 mtp-105 -85.63 114.84 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.714 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -114.78 107.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.725 HG13 HG22 ' A' ' 108' ' ' VAL . 5.0 mp -92.79 144.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.6 mpt? -126.21 99.05 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HE2' ' A' ' 57' ' ' HIS . . . 66.82 -77.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 102' ' ' ILE . 1.3 mmpt? -87.15 -175.53 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -76.19 49.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -106.71 80.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 102' ' ' ILE . 1.4 t -84.13 150.33 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.424 ' CE1' ' SD ' ' A' ' 103' ' ' MET . 60.3 m-85 -133.82 142.48 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.4 ttp85 -97.13 112.28 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' GLY . 61.3 t80 -80.12 111.76 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.86 118.95 37.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 2.0 t-80 -124.3 78.75 60.68 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.37 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.67 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.542 0.687 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 24.6 p-80 -160.26 154.54 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -102.1 126.06 48.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -101.92 131.98 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -77.11 104.12 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -109.65 1.88 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -46.12 165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 8.0 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -39.59 -53.02 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -142.9 167.45 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.746 ' N ' HD12 ' A' ' 25' ' ' LEU . 38.8 m-85 -132.56 142.43 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 25' ' ' LEU . 27.2 m-85 -99.3 106.99 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -69.01 127.4 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -84.46 176.32 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.36 128.36 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.88 -119.9 2.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.574 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 4.4 mm -127.75 122.62 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 45' ' ' ASP . 61.3 m -119.27 94.34 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -78.41 127.87 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 60' ' ' PHE . 3.0 t -99.34 100.65 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.09 -140.53 3.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -100.57 170.3 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -85.27 -11.63 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 24.0 t0 -92.0 -25.37 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.7 143.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.0 mt-10 -37.15 -57.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -92.74 144.6 25.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -62.0 96.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.13 126.13 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.593 ' HB3' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -47.34 -54.79 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -113.23 120.56 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 38' ' ' ALA . 49.8 t -101.55 111.4 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -43.25 116.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -72.11 142.25 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -44.75 -34.24 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.78 53.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -51.17 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.5 p -146.82 -178.82 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 60' ' ' PHE . 35.3 mt -141.77 158.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 35' ' ' VAL . 40.8 m-85 -128.73 107.75 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -99.43 127.86 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -117.91 104.59 11.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -133.8 141.76 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 20.9 ttp180 -80.52 122.89 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -62.1 -175.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -71.69 -14.32 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 t -95.79 5.44 51.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 78.25 13.52 83.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.5 pt-20 -96.91 121.74 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.9 t -68.1 113.75 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -110.5 140.82 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.809 HG12 HD23 ' A' ' 95' ' ' LEU . 76.9 t -115.25 134.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -127.04 140.41 52.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 84' ' ' VAL . 6.4 tp -101.93 127.27 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.66 80.77 5.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.82 171.26 14.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.12 179.23 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.21 -27.52 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -121.97 40.41 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.4 p -120.5 162.94 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -98.81 73.82 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -112.61 151.9 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 58.5 m-85 -154.72 126.77 7.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.884 HG21 HD22 ' A' ' 74' ' ' LEU . 3.0 t -131.49 144.44 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 73.31 28.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.77 68.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -132.9 -175.04 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 19.6 ttp180 -76.38 148.09 37.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 15.0 p -127.2 99.29 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 m -113.91 15.54 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -146.85 153.58 46.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 103.25 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.465 ' C ' HG23 ' A' ' 73' ' ' THR . 32.2 m -118.89 154.63 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.92 99.31 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.874 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.2 mm? -38.75 142.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -104.3 132.24 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -42.85 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.8 26.42 10.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.609 ' ND2' ' CB ' ' A' ' 111' ' ' PHE . 8.9 p30 -80.82 145.85 31.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -90.19 120.45 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.72 HG23 ' CG2' ' A' ' 84' ' ' VAL . 3.6 mt -116.38 145.3 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 108' ' ' VAL . 21.3 mt -142.71 141.06 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -136.49 151.45 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 105' ' ' LYS . . . 35.16 -103.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 6.6 mptt -147.21 137.68 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.47 27.45 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 105' ' ' LYS . 21.2 m80 -119.13 50.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 102' ' ' ILE . 7.7 t -83.28 152.4 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.9 m-85 -152.95 144.85 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -106.02 136.41 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.609 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . 39.1 t80 -88.75 125.0 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.0 t-20 -116.31 103.07 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.0 t-80 -119.73 78.6 22.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.558 0.694 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.556 0.694 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -150.02 151.35 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.22 136.66 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.43 151.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -90.41 75.64 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.5 pt? -78.69 6.78 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.543 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -48.63 177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 89.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -87.37 -42.25 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.43 162.12 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.633 ' N ' HD12 ' A' ' 25' ' ' LEU . 59.7 m-85 -132.16 124.76 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.81 106.88 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mt -69.12 122.87 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -86.27 159.33 19.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.39 76.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -172.04 -125.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 2.8 mm -131.88 112.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 45' ' ' ASP . 54.4 m -96.97 94.25 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.643 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.8 mtt85 -65.51 126.35 28.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.2 t -111.67 93.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' O ' HD22 ' A' ' 48' ' ' LEU . . . -166.12 -138.58 2.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.479 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -91.2 163.16 14.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.73 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -88.77 -25.01 22.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' ALA . 59.0 m-20 -75.32 -20.17 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.28 152.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -34.46 -40.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -121.51 178.46 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -88.07 116.45 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -86.5 158.12 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.526 ' CB ' HG23 ' A' ' 33' ' ' THR . 1.6 m-20 -70.67 -63.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -100.02 108.77 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.73 HG11 ' HB2' ' A' ' 38' ' ' ALA . 12.3 t -92.57 122.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.575 HG22 ' N ' ' A' ' 54' ' ' LYS . 3.3 mm -134.58 162.06 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' N ' HG22 ' A' ' 53' ' ' ILE . 42.0 mmtt -122.16 151.66 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.15 -45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.8 mm-40 -122.23 39.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 8.7 t60 -34.55 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.8 t -172.22 -179.74 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.703 ' O ' HD12 ' A' ' 74' ' ' LEU . 13.0 mt -156.44 168.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 101' ' ' ILE . 28.0 m-85 -139.42 106.72 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.721 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.9 ttt-85 -99.57 136.08 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -128.98 126.5 39.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -157.9 143.38 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -80.43 130.88 35.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 t -70.13 177.73 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -67.46 -9.01 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.6 p -100.53 0.36 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.3 84.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.7 pt-20 -86.93 119.85 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.15 108.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.44 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.8 mm -109.36 145.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 61' ' ' ARG . 16.1 t -124.04 145.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -134.28 132.99 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.952 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.6 tp -96.91 140.91 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -125.03 81.97 62.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.669 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.79 146.99 61.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.33 -179.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -91.55 124.9 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 65.8 27.16 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -89.51 -174.49 4.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.55 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -115.45 78.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.528 HG21 ' SG ' ' A' ' 58' ' ' CYS . 1.3 m -132.19 122.95 26.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.14 130.96 53.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' LYS . 55.7 t -116.74 128.71 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m120 63.36 25.02 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.79 -28.38 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 84' ' ' VAL . 14.0 pttt -92.68 171.3 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 7.3 tpt180 -84.63 147.23 27.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.3 p -124.91 106.68 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -120.2 16.45 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.3 pt20 -142.54 155.38 63.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 94.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.614 HG13 ' HG2' ' A' ' 91' ' ' GLN . 32.6 m -118.58 167.94 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.65 141.24 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.952 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.4 mm? -87.51 161.59 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -119.14 163.95 16.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -72.21 109.6 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.49 57.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.478 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 2.6 p30 -67.34 130.64 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -82.1 117.56 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.735 HD13 ' CZ ' ' A' ' 60' ' ' PHE . 15.5 mt -114.82 113.22 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.91 122.45 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.451 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -115.33 145.77 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 50.75 -116.9 4.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -116.97 -71.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -107.26 45.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 36.5 m-70 -125.28 58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 8.1 t -83.7 159.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 85.7 m-85 -154.9 144.82 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.746 ' HB2' HD22 ' A' ' 14' ' ' LEU . 34.8 ttm180 -112.47 128.02 56.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.591 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 43.0 t80 -83.21 138.14 33.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.05 104.1 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.48 79.33 4.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.596 0.713 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.75 144.27 53.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 44.4 p-80 -161.19 153.38 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.603 HD11 HD11 ' A' ' 28' ' ' ILE . 6.2 mt -108.0 130.58 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.5 144.99 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.3 t-20 -90.08 75.39 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -77.27 6.22 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.96 164.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 4.0 mm? -72.36 -41.5 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.94 163.45 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 73.4 m-85 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD1' HD11 ' A' ' 25' ' ' LEU . 33.5 m-85 -81.28 114.25 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 11' ' ' LEU . 2.2 mt -79.89 107.6 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -101.64 77.99 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.801 ' C ' HD12 ' A' ' 32' ' ' ILE . . . -179.0 -118.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -115.53 125.35 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' CG ' ' A' ' 45' ' ' ASP . 98.1 m -126.33 99.09 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 59' ' ' ILE . 44.9 mtt180 -83.87 130.92 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 60' ' ' PHE . 14.9 t -107.24 104.0 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.94 -142.97 3.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -102.57 162.48 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.1 -19.28 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.6 m-20 -68.94 -38.61 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -34.1 133.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.4 mt-10 -35.04 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ALA . 13.4 mmt180 -119.97 104.7 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 54.0 ttt180 -34.99 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 7.6 mm100 -54.07 166.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.696 ' CG ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -76.28 -55.21 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.637 HG22 HD21 ' A' ' 48' ' ' LEU . 8.9 mt -107.51 114.21 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 48' ' ' LEU . 10.1 t -87.36 124.41 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.8 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.766 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -79.27 149.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -119.97 149.97 41.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 4.9 pm0 -46.77 -34.58 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -129.17 39.79 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.5 t60 -38.96 -42.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' HG13 ' A' ' 59' ' ' ILE . 4.0 t -167.36 175.39 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 60' ' ' PHE . 25.1 mt -144.96 166.49 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE2' HG21 ' A' ' 35' ' ' VAL . 80.2 m-85 -137.04 109.46 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' HG13 ' A' ' 72' ' ' VAL . 15.0 ttm180 -102.01 129.5 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 m -124.09 112.53 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 2.4 tm-20 -142.7 144.51 32.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -80.53 125.33 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -64.39 -179.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -68.76 -20.34 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -86.05 -2.63 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.35 6.28 78.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 3.5 pt-20 -91.84 126.62 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 47.5 t -66.54 100.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 10.6 mm -103.09 124.46 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 61' ' ' ARG . 67.2 t -108.72 142.25 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.6 m -131.56 151.14 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.746 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -102.13 153.26 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.59 80.89 13.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.544 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.73 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.25 171.3 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.66 -28.18 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -100.39 26.43 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -132.06 169.74 15.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -119.94 89.4 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -107.48 140.36 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 97.8 m-85 -133.25 126.21 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 87' ' ' LYS . 20.7 t -115.06 127.66 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.71 28.42 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.44 -24.05 24.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' VAL . 30.0 pttt -96.75 167.46 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 37.2 ttp180 -77.48 160.59 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.3 p -144.37 111.78 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.84 -18.37 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -112.37 155.68 43.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 111.85 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.459 ' C ' HG23 ' A' ' 73' ' ' THR . 21.9 m -131.11 156.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -75.66 119.96 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.7 mm? -64.53 153.28 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -106.99 140.5 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 t -57.23 92.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.83 29.24 2.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 5.5 p30 -96.65 133.94 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -82.39 115.48 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.661 HD13 ' CE1' ' A' ' 60' ' ' PHE . 6.9 mt -108.82 116.72 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.593 HG13 HG13 ' A' ' 108' ' ' VAL . 4.8 mp -105.26 155.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.3 mpt? -140.87 105.52 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.74 29.09 73.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt 44.0 34.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -125.72 -32.29 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CG ' HD12 ' A' ' 48' ' ' LEU . 40.2 m80 -127.68 131.94 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.593 HG13 HG13 ' A' ' 102' ' ' ILE . 15.0 t -128.6 114.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 107' ' ' HIS . 19.2 m-85 -121.21 154.74 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.58 ' HB2' HD22 ' A' ' 14' ' ' LEU . 12.8 tpp85 -112.1 132.15 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 18.6 t80 -79.46 132.97 36.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.0 t-20 -118.62 110.89 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 15.2 t-80 -124.93 80.73 63.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.679 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.77 139.88 41.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 30.4 p-80 -158.38 150.56 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 60' ' ' PHE . 83.7 mt -98.33 135.04 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.21 127.14 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' ND2' HD22 ' A' ' 24' ' ' LEU . 35.7 p-10 -66.35 74.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.46 7.26 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.48 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 61.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD22 ' ND2' ' A' ' 13' ' ' ASN . 5.5 mt -76.9 -41.04 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.62 163.43 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.79 ' N ' HD12 ' A' ' 25' ' ' LEU . 56.9 m-85 -133.3 131.57 40.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -90.76 101.05 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.21 121.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -85.16 177.74 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -82.73 123.93 29.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 133.06 -128.02 4.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -113.23 127.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 45' ' ' ASP . 54.0 m -131.17 95.16 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' OE1' ' A' ' 44' ' ' GLN . 36.5 mtt85 -76.53 146.84 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -117.59 124.68 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.28 -178.71 31.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -45.6 164.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.21 -46.46 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 64.5 m-20 -66.55 -16.7 64.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -34.6 136.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.8 mt-10 -34.86 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 5.3 mmp_? -112.04 136.89 50.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -54.59 125.74 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 42' ' ' ARG . 1.4 mm-40 -114.69 125.17 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 33' ' ' THR . 20.4 t70 -61.39 -51.54 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.77 HG22 HD21 ' A' ' 48' ' ' LEU . 20.0 mt -97.09 111.54 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.604 ' C ' HD22 ' A' ' 48' ' ' LEU . 5.0 t -95.49 124.19 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.3 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 13.1 mm -56.98 153.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 13.5 mmtp -101.95 155.35 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -45.72 -43.53 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -126.87 48.85 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.0 t60 -35.0 -66.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.2 p -144.09 179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.0 mt -134.4 159.44 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 11' ' ' LEU . 18.5 m-85 -134.18 109.08 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -106.89 107.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -101.71 110.69 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.64 143.01 45.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 21.6 ttp180 -80.39 125.15 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 t -62.57 -179.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.71 -29.05 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -77.18 -2.42 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.11 27.79 43.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.18 124.55 52.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 79.7 t -63.47 127.41 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mm -126.69 145.53 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.802 HG12 HD23 ' A' ' 95' ' ' LEU . 95.6 t -116.34 148.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -138.07 157.76 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.5 tp -122.87 116.83 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 82.39 2.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.757 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.74 166.62 26.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.95 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.83 -8.93 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -119.2 25.85 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -121.9 146.76 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -105.67 82.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -113.69 143.26 44.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 77.1 m-85 -134.35 111.27 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 101' ' ' ILE . 75.2 t -106.69 140.25 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.21 44.34 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.23 9.13 34.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . 22.6 mmtp -128.26 171.71 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 3.7 ttm180 -89.22 129.55 35.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.757 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.1 p -101.68 129.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -137.95 18.04 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.661 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.6 pt20 -149.85 156.29 38.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 93.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.661 HG13 ' HG2' ' A' ' 91' ' ' GLN . 26.3 m -114.86 146.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.33 107.77 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.802 HD23 HG12 ' A' ' 72' ' ' VAL . 2.4 mm? -54.06 150.56 7.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' GLY . 3.8 tpm_? -103.47 137.45 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -54.54 84.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 127.19 17.24 2.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.431 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.575 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.7 p30 -84.88 133.99 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 102' ' ' ILE . 12.6 ttm-85 -82.7 121.0 26.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 84' ' ' VAL . 14.9 mt -119.61 129.71 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.684 HG13 HG13 ' A' ' 108' ' ' VAL . 4.1 mp -115.3 143.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -133.85 138.14 45.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.03 -107.69 2.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -115.37 -75.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.62 50.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -116.82 75.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.684 HG13 HG13 ' A' ' 102' ' ' ILE . 1.5 t -86.64 161.72 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 97.3 m-85 -159.92 135.49 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.797 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.6 ttt180 -100.34 120.23 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 72' ' ' VAL . 6.9 t80 -79.21 101.18 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.495 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 10.9 m-20 -82.47 158.02 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 5.8 t-80 -161.1 78.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.576 0.703 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.7 129.15 17.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 56.5 p-80 -152.81 151.5 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.33 132.3 44.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.76 146.64 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.07 123.25 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.569 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 pt? -132.74 6.41 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -58.39 -177.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.78 -38.42 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.5 170.14 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 25' ' ' LEU . 51.9 m-85 -140.94 121.54 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.56 109.24 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.88 107.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.22 174.16 8.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -83.48 113.55 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.48 -113.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mm -131.95 118.58 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 45' ' ' ASP . 17.3 m -109.3 95.21 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.5 mtm180 -74.37 129.74 38.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 60' ' ' PHE . 20.9 t -114.31 90.75 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.63 -112.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 20.1 mt-30 -121.82 177.76 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -92.59 -25.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 4.1 m-20 -71.76 -20.39 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.623 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . . . -37.2 150.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.05 -41.13 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -107.25 178.47 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -84.06 90.77 7.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.623 ' HG2' ' HB3' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -60.74 130.05 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.9 t70 -53.14 -56.12 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.713 ' CG2' HD11 ' A' ' 48' ' ' LEU . 14.5 mt -110.77 144.93 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 48' ' ' LEU . 60.2 t -126.24 123.11 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 23.6 mm -109.9 129.25 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -102.2 158.41 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -124.98 30.43 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.528 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 5.8 t60 -39.11 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.9 t -170.62 179.88 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 74' ' ' LEU . 11.0 mt -154.32 167.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 24.4 m-85 -143.28 116.72 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -99.37 145.67 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -129.57 123.03 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -156.97 131.41 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 4.6 ttm105 -80.33 121.33 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 37.3 t -54.1 179.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -71.09 -14.65 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -84.79 -37.24 21.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.22 14.74 2.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -102.97 131.59 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 38.4 t -72.14 108.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -85.21 154.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 95' ' ' LEU . 85.2 t -138.05 114.88 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.21 137.1 52.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.957 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -99.35 154.66 18.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 2.8 mm-40 -141.69 81.45 14.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 177.38 5.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -106.78 166.17 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -89.99 -6.19 55.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -125.12 29.91 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -130.47 -176.17 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.528 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 5.1 mp0 -129.07 92.9 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 89' ' ' VAL . 4.0 m -121.01 124.04 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.83 122.38 42.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 101' ' ' ILE . 41.9 t -116.41 129.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 63.8 28.72 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.61 -34.23 4.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.88 169.5 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -80.65 161.29 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 89' ' ' VAL . 12.2 p -139.4 107.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 p -111.13 -21.57 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 3.4 mm100 -111.61 161.06 27.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.448 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 54.4 Cg_endo -69.72 116.53 4.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.97 152.8 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -75.41 124.73 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.957 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -70.44 156.15 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -110.85 144.44 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 113' ' ' HIS . 17.8 t -54.22 105.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.43 41.31 4.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.776 ' ND2' HD12 ' A' ' 95' ' ' LEU . 8.1 p-10 -94.03 147.57 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -95.09 106.68 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' A' ' 103' ' ' MET . 4.9 mt -105.83 104.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 108' ' ' VAL . 25.3 mt -97.4 120.25 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -110.0 145.5 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.45 -98.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 -73.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -107.07 50.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -130.05 66.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.693 HG22 HG12 ' A' ' 102' ' ' ILE . 2.5 t -90.68 157.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -152.57 135.99 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -100.18 121.77 41.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 10.4 t80 -79.26 106.02 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.467 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 8.8 m-20 -88.1 112.99 23.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.423 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 1.9 t-80 -117.01 72.28 5.99 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.53 0.681 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 141.09 44.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -159.68 150.43 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.834 HD11 ' CE2' ' A' ' 60' ' ' PHE . 96.7 mt -98.69 139.66 34.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.65 128.0 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 26.3 t-20 -79.37 95.71 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.5 pt? -101.55 6.76 42.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -45.06 161.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.7 mm? -47.04 -45.14 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -144.39 167.24 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.759 ' N ' HD12 ' A' ' 25' ' ' LEU . 85.2 m-85 -130.74 135.29 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HD11 ' A' ' 25' ' ' LEU . 11.9 m-85 -91.65 127.73 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 60' ' ' PHE . 2.4 mt -95.7 103.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -92.18 79.38 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.66 -128.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 59' ' ' ILE . 2.9 mp -116.79 109.01 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.878 HG23 ' HB3' ' A' ' 45' ' ' ASP . 3.4 m -101.48 101.96 12.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 30.1 mtt-85 -76.91 109.55 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.09 HG12 HD21 ' A' ' 48' ' ' LEU . 2.5 t -91.79 114.03 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.64 -136.42 2.0 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HA ' HG13 ' A' ' 47' ' ' VAL . 11.8 mm-40 -102.17 176.45 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.96 -28.15 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ALA . 9.0 m-20 -57.68 -36.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.837 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.0 150.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -64.18 -46.3 84.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -92.35 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 43' ' ' ARG . 9.0 ttp-105 -41.39 116.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 6.9 mm100 -79.97 157.87 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.878 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.4 t70 -76.58 -46.41 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mt -125.03 112.39 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 37' ' ' GLN . 21.3 t -98.62 111.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.09 HD21 HG12 ' A' ' 35' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 107' ' ' HIS . 11.9 mm -110.61 93.94 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 5.8 mmpt? -53.74 136.3 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.837 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -43.65 -34.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.8 mt-10 -121.27 41.01 3.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.2 t60 -34.41 -64.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 74' ' ' LEU . 30.3 p -156.7 176.64 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.1 mt -141.52 161.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 11' ' ' LEU . 48.6 m-85 -127.21 107.35 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -99.49 108.48 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 95.45 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -122.66 147.93 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 11.1 ttp180 -80.25 117.8 21.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -59.02 173.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -61.92 -19.51 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -88.31 -0.16 56.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.2 14.39 76.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.3 pt-20 -101.72 122.46 43.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 99.3 t -64.72 129.54 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.6 mm -130.27 140.85 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.6 t -117.33 134.48 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -127.74 135.52 50.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.003 HD23 HG21 ' A' ' 89' ' ' VAL . 16.0 tp -87.56 119.54 27.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.55 80.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.987 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.73 174.84 8.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.8 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.19 -37.42 26.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -106.55 34.31 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.8 p -105.31 139.55 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -95.4 59.16 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -97.68 145.75 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -140.89 113.3 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.582 HG22 HG12 ' A' ' 101' ' ' ILE . 84.6 t -109.18 130.38 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 m120 62.31 36.54 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.02 10.05 55.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -118.61 -178.66 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -92.49 129.42 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.003 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -112.55 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 p -109.13 -3.04 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.437 ' CB ' ' HD2' ' A' ' 92' ' ' PRO . 0.0 OUTLIER -131.9 167.0 24.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 91' ' ' GLN . 53.3 Cg_endo -69.79 116.51 4.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 19.3 m -139.37 144.7 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 27.4 mt-30 -67.3 137.53 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.976 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.86 143.53 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.763 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 3.5 tpm_? -106.53 122.04 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.74 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 130.09 22.71 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.763 ' ND2' ' H ' ' A' ' 96' ' ' ARG . 93.8 m-20 -90.49 -177.57 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.452 ' HG2' HD11 ' A' ' 14' ' ' LEU . 17.1 mtm180 -129.68 100.8 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.582 HG12 HG22 ' A' ' 84' ' ' VAL . 9.6 mt -101.12 117.04 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.927 HG12 HG22 ' A' ' 108' ' ' VAL . 25.1 mt -108.19 109.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.525 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.8 mtt -108.57 140.01 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' ' 53' ' ' ILE . . . 80.46 -105.01 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.72 -67.32 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -122.55 46.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.623 ' CD2' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.63 79.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.927 HG22 HG12 ' A' ' 102' ' ' ILE . 4.2 t -83.3 150.55 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 56.8 m-85 -155.75 127.2 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.65 HH12 HD13 ' A' ' 14' ' ' LEU . 5.3 ttp-105 -97.39 134.83 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 76.2 t80 -79.85 152.83 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -135.07 162.44 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.438 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 4.4 t-80 -168.34 80.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.579 0.704 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB3' HG21 ' A' ' 72' ' ' VAL . 53.6 Cg_endo -69.78 97.14 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.6 p-80 -118.35 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 111' ' ' PHE . 2.0 mt -98.33 130.12 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.53 156.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.87 101.74 13.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 110' ' ' ARG . 1.4 pt? -115.96 9.7 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -45.03 170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.12 -38.11 61.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.32 -179.79 6.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.997 ' N ' HD12 ' A' ' 25' ' ' LEU . 52.5 m-85 -143.12 123.43 13.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.91 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.1 m-85 -92.33 138.53 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.85 127.34 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.96 -172.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -102.09 79.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.671 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 170.54 -122.46 0.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.7 mp -114.77 134.24 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.2 m -128.1 104.44 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -80.31 110.58 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.29 142.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.17 -132.78 2.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -101.08 169.92 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -87.86 -24.25 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -75.82 -23.14 55.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -37.86 135.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.0 mt-10 -37.75 -36.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.7 mtm180 -114.44 109.98 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ARG . 49.8 ttt180 -36.41 118.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -88.5 133.03 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.9 t70 -47.6 -66.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' CD2' ' A' ' 48' ' ' LEU . 33.4 mt -101.94 119.1 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ALA . 49.2 t -99.91 119.95 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 109' ' ' PHE . 2.9 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 m80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 107' ' ' HIS . 3.6 mm -100.78 165.35 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' H ' HG22 ' A' ' 53' ' ' ILE . 38.0 mmtt -114.64 137.41 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' LYS . 3.9 mp0 -34.58 -46.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' HIS . 20.4 mt-10 -119.72 49.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.9 t60 -34.63 -69.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 82' ' ' THR . 30.7 m -148.95 -176.87 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 60' ' ' PHE . 17.4 mt -140.35 154.38 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 74' ' ' LEU . 44.7 m-85 -123.82 110.35 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -99.87 104.95 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 72' ' ' VAL . 58.7 m -112.35 103.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.5 173.75 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 1.1 ttp-105 -80.46 108.57 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -49.62 178.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.13 -21.14 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 m -90.44 -1.93 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 92.42 0.21 70.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 71' ' ' ILE . 4.0 pt-20 -93.72 124.6 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.91 113.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 69' ' ' GLU . 49.4 mm -114.72 154.53 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 62' ' ' SER . 67.4 t -124.63 133.42 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.519 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -128.64 135.27 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.939 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.5 tp -93.92 120.8 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -108.19 80.96 1.18 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 155.31 66.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.93 -174.56 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -84.95 126.06 33.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 64.03 39.03 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' THR . 2.0 p -100.29 126.34 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.58 75.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -129.3 141.76 51.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -145.95 126.77 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.719 HG22 HG13 ' A' ' 101' ' ' ILE . 24.9 t -116.6 129.77 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 63.19 26.38 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.9 -28.03 10.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.18 161.73 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -71.82 165.28 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.4 p -145.58 108.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 t -120.24 -7.92 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.518 ' HG2' HG13 ' A' ' 93' ' ' VAL . 1.9 pt20 -117.83 155.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.519 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -121.4 153.67 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' NE2' HG21 ' A' ' 71' ' ' ILE . 50.1 mt-30 -70.54 134.99 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.0 mm? -74.85 148.83 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 2.9 tpm_? -99.24 121.31 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.94 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 134.5 4.6 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.494 HD21 HD11 ' A' ' 101' ' ' ILE . 3.1 p30 -80.37 -174.09 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 14' ' ' LEU . 57.7 mtp180 -136.38 108.33 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.719 HG13 HG22 ' A' ' 84' ' ' VAL . 4.9 mp -93.82 120.74 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.663 HG12 HG22 ' A' ' 108' ' ' VAL . 26.3 mt -106.77 118.84 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.488 ' HG2' HG23 ' A' ' 82' ' ' THR . 4.8 mtt -124.32 103.53 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.54 -99.58 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -130.57 -73.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -114.87 21.18 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -86.26 78.59 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.663 HG22 HG12 ' A' ' 102' ' ' ILE . 1.5 t -102.54 140.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 48' ' ' LEU . 74.7 m-85 -135.79 142.49 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.683 ' CB ' HD22 ' A' ' 14' ' ' LEU . 28.8 ttm-85 -96.65 129.01 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.44 ' HD1' HD23 ' A' ' 11' ' ' LEU . 8.8 t80 -80.99 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -124.52 103.11 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -111.73 74.26 1.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.561 0.696 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.54 9.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' HB2' HD13 ' A' ' 25' ' ' LEU . 7.9 p-80 -140.36 147.82 40.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 ' CE2' ' A' ' 60' ' ' PHE . 62.6 mt -98.5 127.33 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.18 136.27 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 37.8 t-20 -83.97 77.2 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.59 6.71 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -46.63 172.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 75.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.1 mm? -76.05 -43.85 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.7 161.35 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.701 ' N ' HD12 ' A' ' 25' ' ' LEU . 23.8 m-85 -122.43 124.21 43.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 25' ' ' LEU . 8.8 m-85 -88.07 93.07 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.7 mt -53.11 158.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.3 mttp -104.9 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.73 78.35 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.36 -106.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 4.2 mm -131.89 130.92 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.5 m -134.1 102.83 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -76.53 140.66 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD21 ' A' ' 48' ' ' LEU . 2.8 t -118.14 109.33 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.46 -118.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.764 ' HA ' HG13 ' A' ' 47' ' ' VAL . 44.7 mm-40 -115.21 -178.52 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.91 -20.38 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' CD ' ' A' ' 55' ' ' GLU . . . -38.45 142.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -38.96 -36.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -113.36 139.91 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 29.6 ttp180 -65.68 110.73 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' CA ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -91.94 139.69 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.696 ' HB3' HG23 ' A' ' 33' ' ' THR . 17.9 t70 -64.58 -58.63 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.8 116.89 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.764 HG13 ' HA ' ' A' ' 37' ' ' GLN . 58.3 t -105.46 114.47 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.764 0.316 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 54' ' ' LYS . 4.6 mm -103.74 158.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 53' ' ' ILE . 20.3 mmtt -107.23 151.36 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 36.1 mt-10 -53.77 -30.65 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.3 mt-10 -131.71 44.59 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.6 t60 -34.98 -70.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 p -142.84 178.96 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -140.08 153.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.693 ' CE2' HD11 ' A' ' 11' ' ' LEU . 30.2 m-85 -123.47 112.41 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 23.4 ttp180 -105.77 114.83 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 t -113.46 101.62 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.41 147.67 51.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -80.89 104.26 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 t -42.14 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -20.14 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -15.28 49.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.86 9.35 46.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.23 125.43 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 89.9 t -63.71 131.18 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 7.7 mm -130.68 129.57 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.631 HG12 HD23 ' A' ' 95' ' ' LEU . 64.4 t -106.69 129.35 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.458 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -124.25 137.0 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.894 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 tp -97.77 117.47 32.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -109.16 80.71 1.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.923 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.71 175.85 7.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.88 -179.23 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -89.47 -35.35 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -97.73 36.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m -127.19 159.3 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -111.83 88.39 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.84 156.24 29.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 88.8 m-85 -153.18 117.68 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 101' ' ' ILE . 12.7 t -113.71 132.8 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.1 m120 60.88 33.45 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.95 -23.91 4.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -90.36 -174.68 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HE ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.63 143.62 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.5 p -126.6 109.49 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -121.19 8.34 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 8.8 mm-40 -136.89 160.6 65.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.7 Cg_endo -69.8 96.73 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -126.3 150.54 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 73' ' ' THR . 29.0 mt-30 -62.24 145.85 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mm? -87.17 146.64 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -99.12 119.42 37.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.99 87.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 129.78 12.01 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.507 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.1 p30 -87.38 150.34 23.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.612 ' HG2' HD11 ' A' ' 102' ' ' ILE . 7.2 ttm180 -93.24 101.69 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 84' ' ' VAL . 18.0 mt -90.21 121.28 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 100' ' ' ARG . 3.8 mp -118.62 138.62 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.158 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 11.3 mtt -132.92 148.25 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.09 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' MET . 0.4 OUTLIER -154.37 142.35 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 47.88 34.7 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -130.82 65.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.598 HG13 HG13 ' A' ' 102' ' ' ILE . 4.0 t -93.15 156.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 36.4 m-85 -158.07 143.42 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.856 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.0 ttp-105 -107.57 130.24 54.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 23.1 t80 -82.81 140.37 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -124.12 119.0 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.4 t-80 -133.85 74.78 68.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.5 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.615 0.722 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.72 124.83 11.49 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 24.8 p-80 -141.3 166.97 23.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -120.31 129.73 54.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.98 158.65 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' OD1' ' ND2' ' A' ' 15' ' ' ASN . 5.7 t30 -102.56 95.6 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.4 pt? -104.64 7.03 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' ND2' ' OD1' ' A' ' 13' ' ' ASN . 65.2 m-20 -45.95 171.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 96.1 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' HD22 ' A' ' 24' ' ' LEU . 2.2 mm? -72.08 -38.37 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.48 161.79 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.63 ' N ' HD12 ' A' ' 25' ' ' LEU . 31.6 m-85 -128.72 131.06 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 25' ' ' LEU . 35.0 m-85 -91.74 119.27 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.93 120.43 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 164.54 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.24 73.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.34 -124.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' A' ' 59' ' ' ILE . 3.6 mp -129.8 102.72 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 33' ' ' THR . 1.6 m -97.07 99.52 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -74.18 136.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.901 HG12 HD21 ' A' ' 48' ' ' LEU . 5.1 t -106.18 109.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.4 -133.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -109.93 175.46 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.66 -22.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -90.7 -10.71 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.34 160.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.24 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' GLN . 18.2 mmt85 -97.41 108.3 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . 5.4 ttp-105 -34.98 93.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ARG . 36.5 mm-40 -62.97 165.73 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.79 -51.62 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 46' ' ' ILE . 6.5 mt -108.2 107.81 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 38' ' ' ALA . 21.4 t -92.54 106.22 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.901 HD21 HG12 ' A' ' 35' ' ' VAL . 1.6 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.702 HD11 ' ND1' ' A' ' 107' ' ' HIS . 18.3 mm -104.41 93.55 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ILE . 1.7 mmmp? -38.26 129.79 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.95 -32.3 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.5 mt-10 -127.8 37.34 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CE1' ' HG1' ' A' ' 82' ' ' THR . 14.1 t-80 -34.52 -69.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.5 p -145.27 -179.25 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 60' ' ' PHE . 24.4 mt -140.23 159.45 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.506 ' N ' HG22 ' A' ' 59' ' ' ILE . 17.7 m-85 -123.7 107.45 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -99.92 112.14 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -110.41 91.0 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -117.15 142.84 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 3.4 ttm105 -80.34 108.26 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -47.55 167.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.87 -12.67 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -88.01 -18.78 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 104.38 10.58 33.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.28 132.09 49.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -74.57 110.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.8 mm -104.67 132.72 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 95' ' ' LEU . 63.4 t -109.05 132.91 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -128.6 145.7 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD21 ' A' ' 95' ' ' LEU . 11.1 tp -100.61 121.23 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.49 81.1 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.97 179.98 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.5 -44.04 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -100.13 34.0 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.1 p -112.65 118.71 35.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.48 70.64 7.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.435 ' HG1' ' CE1' ' A' ' 57' ' ' HIS . 2.2 m -101.76 146.43 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 64.3 m-85 -147.5 113.69 5.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.751 HG22 HG12 ' A' ' 101' ' ' ILE . 14.5 t -102.17 135.07 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 55.08 23.41 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.07 66.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.1 143.73 51.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -63.94 135.21 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.0 p -128.39 114.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.7 p -120.66 -14.8 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.43 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 7.7 mm100 -112.22 161.0 28.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.4 Cg_endo -69.82 97.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.469 ' C ' HG23 ' A' ' 73' ' ' THR . 31.8 m -122.15 150.15 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.8 144.16 57.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.2 mm? -88.1 147.88 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -103.63 120.41 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 101.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 115.82 9.66 12.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.615 ' OD1' HG13 ' A' ' 84' ' ' VAL . 2.1 p30 -82.55 162.34 22.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.03 107.18 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.751 HG12 HG22 ' A' ' 84' ' ' VAL . 6.2 mt -98.08 117.9 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.904 HG12 HG22 ' A' ' 108' ' ' VAL . 10.6 mt -109.26 101.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.7 ' SD ' HG11 ' A' ' 35' ' ' VAL . 6.1 mtm -104.67 103.49 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.62 -103.64 3.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.522 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 24.7 mmtp -151.78 129.97 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.01 29.58 14.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.702 ' ND1' HD11 ' A' ' 53' ' ' ILE . 29.4 m80 -115.86 51.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.904 HG22 HG12 ' A' ' 102' ' ' ILE . 2.8 t -84.91 123.44 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -117.97 153.31 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.909 ' HB2' HD22 ' A' ' 14' ' ' LEU . 13.1 ttt-85 -105.14 115.72 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' GLY . 14.8 t80 -79.87 118.47 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.573 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 6.8 m-20 -116.07 115.32 25.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.37 80.82 69.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.363 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.03 52.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.411 ' CD2' HD13 ' A' ' 25' ' ' LEU . 46.5 p-80 -158.49 153.71 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 46' ' ' ILE . 46.3 mt -104.08 125.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.95 142.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -87.25 73.73 9.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.786 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -73.93 3.44 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.3 166.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.1 -34.71 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.911 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.23 175.62 10.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.911 ' N ' HD12 ' A' ' 25' ' ' LEU . 45.8 m-85 -137.73 125.67 22.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.83 137.77 32.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -113.84 117.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.78 176.57 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.4 101.29 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.74 -118.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' C ' ' HZ1' ' A' ' 29' ' ' LYS . 3.6 mp -129.04 106.29 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.599 ' O ' HG22 ' A' ' 33' ' ' THR . 1.3 m -91.76 100.94 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -79.74 116.93 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 48' ' ' LEU . 23.3 t -89.78 129.95 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.13 -140.0 4.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 21.9 mm-40 -102.27 164.99 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.747 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -81.12 -13.89 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ALA . 39.8 m-20 -82.39 -30.53 30.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.82 147.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' ALA . 2.6 pt-20 -34.54 -47.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -107.1 159.76 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -70.43 90.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 83.2 mm-40 -48.46 116.23 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' CB ' HG23 ' A' ' 33' ' ' THR . 2.5 m-20 -42.64 -31.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' CG2' HD11 ' A' ' 48' ' ' LEU . 29.3 mt -131.46 128.42 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' ' 38' ' ' ALA . 87.8 t -115.05 107.14 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.3 m170 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.768 0.318 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 54' ' ' LYS . 18.4 mm -107.32 162.46 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' N ' HG22 ' A' ' 53' ' ' ILE . 18.5 mmtp -114.64 142.76 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -48.99 -29.71 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.3 mm-40 -131.9 39.84 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t60 -36.53 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.4 p -139.48 -179.12 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 10.2 mt -144.04 161.75 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 24.9 m-85 -131.89 125.43 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -113.46 120.93 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -114.49 111.58 21.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -143.49 153.17 42.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -84.21 128.64 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -69.6 166.29 19.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -54.7 -23.04 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 t -77.15 -28.54 54.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.63 23.93 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 pt-20 -114.99 121.67 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 74.6 t -60.42 109.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.68 150.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG12 HD23 ' A' ' 95' ' ' LEU . 65.8 t -119.85 140.62 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -131.86 135.16 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.972 ' HB2' HD21 ' A' ' 95' ' ' LEU . 5.3 tp -94.66 126.59 40.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -111.34 80.17 2.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.908 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 154.61 67.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.06 179.86 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.71 4.75 30.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -118.78 11.0 12.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.62 -174.91 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.9 tp10 -128.07 100.46 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 1.7 m -119.99 149.74 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 84.5 m-85 -148.65 129.06 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.522 HG22 HG23 ' A' ' 101' ' ' ILE . 85.5 t -127.64 136.56 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.67 25.23 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.94 0.77 90.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -119.25 170.95 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.765 0.317 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -78.38 151.13 32.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 76' ' ' PRO . 11.1 p -134.07 98.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -111.46 -11.86 14.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.8 pt20 -113.94 155.68 44.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.696 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 99.0 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 91' ' ' GLN . 34.5 m -120.87 157.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.8 142.79 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.972 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -87.32 176.33 7.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 1.8 mmp_? -140.94 157.66 45.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.87 114.18 20.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.31 0.6 40.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 96' ' ' ARG . 0.6 OUTLIER -78.02 155.44 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -100.99 125.37 47.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 84' ' ' VAL . 7.5 mt -123.27 119.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.685 HG13 HG22 ' A' ' 108' ' ' VAL . 2.9 mp -108.87 136.2 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 mtt -132.47 105.78 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.12 -101.62 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 18.1 mmtp -118.83 -71.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -125.7 18.33 8.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CE1' ' A' ' 109' ' ' PHE . 1.7 m80 -79.37 75.77 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.685 HG22 HG13 ' A' ' 102' ' ' ILE . 1.7 t -87.73 147.71 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 107' ' ' HIS . 23.7 m-85 -144.0 147.82 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.747 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.3 ttm180 -105.51 125.22 50.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.469 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 86.3 t80 -86.18 132.13 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -123.34 124.7 43.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.6 t-80 -107.53 78.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.589 0.709 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.06 15.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.266 . . . . 0.0 112.346 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 35.4 p-80 -150.47 155.5 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 60' ' ' PHE . 28.5 mt -104.72 136.87 43.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.57 148.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.27 83.57 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -88.77 1.34 55.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -59.94 177.26 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 8.2 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.88 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.56 164.37 32.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.7 m-85 -135.55 124.29 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.68 130.58 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.8 mt -103.01 122.29 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -80.9 176.23 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.09 83.09 8.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -122.43 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 3.0 mm -128.47 113.02 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 45' ' ' ASP . 96.0 m -111.72 98.24 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HA ' HG23 ' A' ' 59' ' ' ILE . 69.6 mtt180 -67.85 146.75 53.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG21 ' CE2' ' A' ' 60' ' ' PHE . 2.1 t -126.76 117.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.571 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 176.1 -136.31 3.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -100.7 153.32 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.56 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ALA . 25.2 t70 -66.06 -29.51 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.18 147.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 mm-40 -37.07 -57.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 6.0 tpp85 -99.68 130.07 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.9 ttm105 -50.3 135.59 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 4.9 mm100 -110.95 143.32 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.497 ' CB ' HG23 ' A' ' 33' ' ' THR . 27.1 t0 -63.72 -57.62 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.866 ' CG2' HD11 ' A' ' 48' ' ' LEU . 12.3 mt -96.4 125.36 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.584 ' C ' HD13 ' A' ' 48' ' ' LEU . 6.6 t -103.83 128.85 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.866 HD11 ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 107' ' ' HIS . 6.7 mm -146.22 135.05 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' GLU . 15.2 mmtt -91.9 133.8 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' LYS . 39.6 mt-10 -34.5 -44.11 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.5 mm-40 -120.4 49.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.9 t60 -34.67 -69.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 74' ' ' LEU . 27.6 p -148.37 -178.71 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.2 mt -139.86 152.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.4 m-85 -114.94 107.82 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -100.14 135.8 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -129.86 121.43 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -146.44 139.17 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 64' ' ' ARG . 2.9 ttm105 -81.24 116.73 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 t -54.27 160.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.26 -26.83 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -27.1 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.89 21.27 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.5 128.07 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.62 111.44 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.0 mm -110.73 143.61 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 111' ' ' PHE . 22.9 t -116.06 149.9 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -142.59 132.63 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.953 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.6 tp -96.43 129.76 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -112.15 79.92 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.694 0.759 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.894 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 167.67 23.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.38 138.78 37.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -22.55 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.96 36.48 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -127.76 105.76 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.23 99.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -137.97 134.77 35.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 84.2 m-85 -138.17 132.07 31.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.726 HG13 ' OD1' ' A' ' 99' ' ' ASN . 23.1 t -130.78 141.37 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 62.9 31.6 16.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.62 83.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -128.21 177.9 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 20.5 ttp85 -86.3 149.55 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.894 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -130.67 96.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -113.38 30.81 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.51 160.93 23.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.54 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.513 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -118.71 152.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 30.2 mt-30 -70.07 139.57 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.953 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mm? -83.65 170.58 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 96' ' ' ARG . 4.5 mmm180 -135.3 162.36 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.55 115.2 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.0 48.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.726 ' OD1' HG13 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -68.2 147.93 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.724 ' NE ' HD11 ' A' ' 102' ' ' ILE . 1.2 tmm_? -95.64 104.64 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 84' ' ' VAL . 6.9 mt -100.97 124.02 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 108' ' ' VAL . 21.6 mt -115.97 122.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.67 147.23 35.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.437 ' HA3' ' HD1' ' A' ' 107' ' ' HIS . . . 54.98 -104.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -130.81 -63.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -110.32 31.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.442 ' CE1' HD11 ' A' ' 53' ' ' ILE . 5.7 m80 -108.41 66.43 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 102' ' ' ILE . 67.4 t -84.51 153.41 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.498 ' C ' HD21 ' A' ' 14' ' ' LEU . 80.5 m-85 -156.4 148.02 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.716 ' HB2' HD22 ' A' ' 14' ' ' LEU . 31.3 ttt180 -117.32 117.69 30.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.646 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 58.6 t80 -79.59 123.16 27.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 23.3 m-20 -109.95 140.5 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -139.34 80.6 22.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.326 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.0 Cg_endo -69.8 131.99 22.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.27 154.37 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.32 117.02 32.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.75 133.34 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.96 125.5 29.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -125.73 12.69 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -51.46 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.547 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.912 0.386 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -104.51 -19.35 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.61 157.45 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.944 ' N ' HD12 ' A' ' 25' ' ' LEU . 57.4 m-85 -135.17 138.2 43.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -88.69 144.26 26.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.06 110.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -54.71 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -104.24 78.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.01 -106.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mm -128.53 126.06 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 45' ' ' ASP . 97.6 m -121.39 104.4 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HA ' HG23 ' A' ' 59' ' ' ILE . 49.4 mtt180 -78.51 128.44 33.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.34 104.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.01 -148.76 5.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -87.19 162.64 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -77.67 -37.26 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.71 -14.43 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' CB ' HE21 ' A' ' 44' ' ' GLN . . . -40.31 141.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -37.79 -57.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' ARG . 10.8 tpp180 -97.6 111.34 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 tpt180 -34.52 132.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' A' ' 40' ' ' ALA . 9.3 mm-40 -106.75 164.42 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.7 t70 -85.14 -64.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' TYR . 6.4 mt -96.86 117.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 38' ' ' ALA . 40.6 t -99.94 111.57 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.1 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.9 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.755 0.312 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 54' ' ' LYS . 30.3 mm -141.21 153.92 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.23 150.92 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.62 -30.0 62.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.5 mt-10 -129.51 41.58 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.6 t60 -36.69 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 59' ' ' ILE . 7.8 p -146.61 -175.11 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.2 mt -143.9 159.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 59' ' ' ILE . 32.7 m-85 -132.44 112.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -101.35 128.74 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.52 97.71 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -126.98 141.58 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -80.39 113.7 18.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -51.51 166.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -58.81 -18.49 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -80.57 -25.49 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.74 19.35 8.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -110.01 126.53 54.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 43.4 t -67.17 98.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.3 mm -95.83 152.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG12 HD23 ' A' ' 95' ' ' LEU . 96.9 t -125.8 131.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.534 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.1 m -122.79 138.48 54.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 95' ' ' LEU . 7.2 tp -96.0 126.33 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -114.39 80.74 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.69 172.07 13.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.658 2.238 . . . . 0.0 112.377 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.9 -179.28 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -86.96 -36.45 18.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -91.89 17.87 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -119.57 142.9 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -101.85 97.98 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -121.29 142.39 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 75.7 m-85 -137.66 111.71 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 101' ' ' ILE . 18.3 t -106.19 134.48 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m120 61.75 21.6 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.57 3.93 77.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' VAL . 8.0 ptpp? -125.11 156.91 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 1.4 ttm180 -73.45 132.95 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.617 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.1 p -110.17 114.25 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.6 m -122.11 21.91 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.538 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.0 pt20 -148.44 154.13 41.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.24 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 91' ' ' GLN . 16.9 m -115.73 159.54 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.8 99.75 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -38.33 148.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -108.31 120.86 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -36.33 114.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 95.2 10.81 56.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.8 p30 -78.52 130.92 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -82.25 111.21 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.585 HG12 HG22 ' A' ' 84' ' ' VAL . 7.0 mt -108.02 121.52 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 HG22 ' A' ' 108' ' ' VAL . 39.8 mt -109.05 119.38 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.8 mtm -120.03 99.49 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.35 -107.72 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -116.45 -67.07 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 m120 -124.49 8.36 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.723 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -72.24 91.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.757 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -113.09 146.05 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -139.37 155.53 47.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.636 ' HB2' HD22 ' A' ' 14' ' ' LEU . 2.4 tmm_? -106.04 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 37.1 t80 -79.39 107.09 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -93.44 111.66 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.1 t-80 -113.55 77.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.0 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.537 0.684 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.83 130.84 19.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -151.36 145.83 25.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 60' ' ' PHE . 51.8 mt -99.33 130.37 45.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.7 144.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -88.04 71.33 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.8 pt? -69.48 -1.32 8.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -49.81 163.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 26.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' CYS . 1.5 mm? -35.39 -48.7 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.22 172.81 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.833 ' N ' HD12 ' A' ' 25' ' ' LEU . 44.2 m-85 -134.01 123.7 25.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -86.51 107.94 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -78.32 119.15 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -75.45 173.65 10.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.31 83.9 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.638 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 179.44 -127.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 31' ' ' GLY . 2.1 mp -119.04 114.53 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.2 m -110.59 95.29 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' NH1' HG21 ' A' ' 32' ' ' ILE . 26.0 mtm-85 -71.52 133.7 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.844 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -112.08 127.13 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 170.17 -130.17 1.97 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -100.43 167.73 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.334 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -84.9 -26.15 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -87.41 -8.07 56.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.03 149.15 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -44.04 -56.08 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' GLN . 5.1 mmp_? -94.35 114.03 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' ARG . 34.8 ttp180 -37.28 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' ARG . 35.7 mm-40 -65.68 104.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.683 ' HB3' HG23 ' A' ' 33' ' ' THR . 7.7 t0 -34.98 -54.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -102.53 124.4 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 38' ' ' ALA . 20.3 t -107.84 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.844 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.9 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 HD11 ' ND1' ' A' ' 107' ' ' HIS . 39.4 mm -97.32 150.61 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -116.17 142.96 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 22.4 mp0 -39.62 -35.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.91 54.36 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -41.17 -51.01 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.4 p -158.69 -176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 60' ' ' PHE . 45.1 mt -144.83 154.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.1 m-85 -127.8 108.88 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -105.03 119.94 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -109.59 99.57 8.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.07 134.91 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 13.6 ttm180 -80.42 107.4 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -46.89 168.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -59.76 -21.43 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 p -76.71 -16.51 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 97.31 21.25 20.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -113.82 134.22 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.2 t -72.82 118.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.36 122.7 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 HD23 ' A' ' 95' ' ' LEU . 78.0 t -100.17 127.72 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.24 136.23 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.841 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -97.25 121.65 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -109.43 79.7 1.35 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.858 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.81 169.17 19.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 t -109.68 148.48 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.18 -2.12 23.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -119.68 38.83 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 m -147.49 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -122.75 94.87 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -124.37 138.53 54.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -132.94 123.77 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.628 HG22 HG23 ' A' ' 101' ' ' ILE . 77.7 t -120.91 135.79 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.94 25.47 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.32 -3.64 85.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -114.08 -179.83 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -90.69 129.64 36.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 76' ' ' PRO . 10.6 p -104.81 91.02 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -105.91 16.47 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -147.65 154.77 44.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 101.75 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.86 168.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -88.98 132.36 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -74.41 157.34 35.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -108.92 139.94 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -53.41 93.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.8 17.22 11.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.59 HD21 HD11 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -77.24 136.97 38.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -83.77 114.94 21.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' VAL . 9.5 mt -114.13 113.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 108' ' ' VAL . 4.1 mp -101.06 152.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.8 mtt -144.17 149.96 37.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 64.18 -87.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -132.51 -66.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.7 m-20 -125.25 9.99 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 107' ' ' HIS . 1.0 OUTLIER -68.1 80.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 102' ' ' ILE . 2.2 t -97.57 154.65 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.78 144.66 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.717 ' HB2' HD22 ' A' ' 14' ' ' LEU . 15.2 ttm180 -96.43 114.22 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.471 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 38.7 t80 -83.93 97.41 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -89.16 114.77 26.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 31.5 t-80 -119.57 79.16 21.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.9 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.571 0.7 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.71 135.72 31.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -158.4 154.45 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.59 130.67 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 129.06 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -81.13 77.63 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.789 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -78.76 6.15 9.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.705 ' C ' HD21 ' A' ' 15' ' ' ASN . 0.1 OUTLIER -49.63 178.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 9.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.832 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.21 -29.68 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.02 168.33 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.796 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.8 m-85 -138.27 128.57 26.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 25' ' ' LEU . 21.5 m-85 -88.52 129.35 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.7 mt -92.39 125.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.68 165.18 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.94 109.99 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.662 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 149.91 -130.09 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.662 HD12 ' C ' ' A' ' 31' ' ' GLY . 3.4 mp -128.83 123.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 45' ' ' ASP . 24.3 m -110.11 98.7 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.12 124.72 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG12 HD21 ' A' ' 48' ' ' LEU . 5.5 t -106.92 102.12 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.8 -130.2 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HA ' HG13 ' A' ' 47' ' ' VAL . 48.5 mm-40 -102.73 170.57 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.42 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -92.84 -17.41 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.45 149.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -45.71 25.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' GLN . 9.8 ttm180 -101.07 116.69 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -43.71 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 9.3 mm100 -68.15 128.87 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' CB ' HG23 ' A' ' 33' ' ' THR . 6.2 m-20 -52.62 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.0 mt -97.65 137.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.508 ' C ' HD13 ' A' ' 48' ' ' LEU . 3.8 t -123.86 133.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.875 HD23 HG21 ' A' ' 53' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.5 m80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.875 HG21 HD23 ' A' ' 48' ' ' LEU . 4.4 mm -96.12 155.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -117.6 152.07 35.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 6.6 mp0 -49.22 -36.1 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.91 42.57 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 3.8 t-80 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 3.3 m -151.31 -177.16 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.1 mt -143.9 159.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.502 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 25.7 m-85 -130.79 110.13 11.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ttt-85 -101.35 124.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -112.61 105.68 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -133.99 142.8 47.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -82.55 115.31 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -53.29 164.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.64 -25.45 39.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -73.18 -27.14 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 20.83 7.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -110.96 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.76 116.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -117.79 147.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.635 HG12 HD23 ' A' ' 95' ' ' LEU . 37.8 t -120.62 135.69 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.2 m -123.53 133.3 54.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.4 tp -91.88 118.28 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.8 80.64 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.73 -176.53 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.84 178.77 4.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.07 -12.39 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -120.34 32.71 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.519 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 11.2 p -127.99 154.55 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.08 62.71 2.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.436 ' HB ' HG13 ' A' ' 89' ' ' VAL . 1.5 m -88.79 138.65 31.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -144.47 132.74 21.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' LYS . 30.5 t -120.85 147.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.48 30.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.85 -27.53 8.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' VAL . 49.8 pttt -87.04 170.61 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp85 -82.22 152.6 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.7 p -137.61 104.36 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 p -116.74 3.07 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 164.5 43.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.69 2.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' C ' HG23 ' A' ' 73' ' ' THR . 18.4 m -136.78 151.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.01 135.54 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -79.22 178.08 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.46 157.98 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -70.67 73.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.67 29.35 0.98 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 2.8 p30 -88.91 144.12 26.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 115.66 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.42 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -110.13 119.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 108' ' ' VAL . 23.2 mt -105.37 119.09 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.494 ' SD ' HG11 ' A' ' 35' ' ' VAL . 19.2 mtt -118.36 102.05 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.9 -120.53 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -67.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -127.46 62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -132.85 88.98 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 102' ' ' ILE . 8.7 t -96.17 158.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.424 ' N ' HG12 ' A' ' 108' ' ' VAL . 86.2 m-85 -144.6 143.33 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HB2' HD22 ' A' ' 14' ' ' LEU . 6.9 tpt180 -106.98 116.4 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -79.81 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -103.86 105.12 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -110.96 77.37 1.39 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.525 0.679 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.74 130.7 19.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 25' ' ' LEU . 54.4 p-80 -156.77 154.16 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 60' ' ' PHE . 48.0 mt -99.21 138.1 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.0 135.26 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -78.86 77.44 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.829 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -78.03 5.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 108' ' ' VAL . 48.3 m-20 -51.97 176.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 3.7 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.55 -47.78 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -143.32 162.27 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.625 ' N ' HD12 ' A' ' 25' ' ' LEU . 70.4 m-85 -126.46 128.73 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 10' ' ' HIS . 23.4 m-85 -90.61 119.86 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 33' ' ' THR . 28.8 mt -92.76 127.18 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' NZ ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.59 173.37 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.16 83.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.28 -127.19 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.487 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 3.2 mm -129.78 116.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.763 HG23 ' HB3' ' A' ' 45' ' ' ASP . 86.7 m -105.46 95.5 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH1' ' NE2' ' A' ' 44' ' ' GLN . 10.2 mtm105 -72.26 117.99 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.94 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -98.74 113.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.32 -126.49 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.51 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.49 -22.21 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.54 142.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ALA . 8.2 mm-40 -34.87 -57.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -93.27 142.8 26.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -62.82 106.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' NE2' ' NH1' ' A' ' 34' ' ' ARG . 66.3 mm-40 -75.65 135.99 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.763 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.9 t0 -62.21 -54.22 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG12 ' CD2' ' A' ' 26' ' ' TYR . 33.5 mt -105.39 123.58 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.31 132.1 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.94 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 105' ' ' LYS . 64.0 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 107' ' ' HIS . 28.5 mm -67.94 154.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 53' ' ' ILE . 12.7 mmtp -118.65 154.68 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -58.02 -38.65 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.0 mt-10 -121.22 36.37 4.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 8.5 t60 -36.63 -68.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' C ' HG13 ' A' ' 59' ' ' ILE . 2.8 p -148.58 -175.25 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 60' ' ' PHE . 15.8 mt -149.86 165.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' N ' HG22 ' A' ' 59' ' ' ILE . 63.0 m-85 -138.08 106.88 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 46.9 ttt180 -102.39 114.39 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -103.57 110.58 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.09 140.43 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.15 109.59 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.0 t -49.71 171.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -63.48 -17.23 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -81.72 -14.91 55.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.8 15.11 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.4 131.78 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.42 108.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.03 148.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 95' ' ' LEU . 74.2 t -120.9 138.19 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.0 OUTLIER -120.65 135.66 55.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 HG21 ' A' ' 89' ' ' VAL . 15.9 tp -95.6 122.14 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -107.6 80.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.926 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.74 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.0 179.94 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.5 -10.74 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.78 36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 5.3 m -159.15 161.38 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -97.2 114.17 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -135.0 145.43 48.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -149.56 141.41 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.754 HG22 HG12 ' A' ' 101' ' ' ILE . 65.6 t -140.66 135.9 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 60.98 25.75 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.8 4.44 85.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -120.82 162.72 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -67.86 138.14 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.056 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -120.52 96.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -112.15 -22.84 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -106.27 154.98 39.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' C ' HG23 ' A' ' 73' ' ' THR . 35.6 m -115.49 156.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -85.07 107.16 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -46.48 171.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' ASN . 4.1 tpm_? -126.53 128.96 47.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ARG . 3.6 t -36.23 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.19 22.55 11.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.589 ' ND2' HD11 ' A' ' 101' ' ' ILE . 4.4 p-10 -72.64 134.44 45.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -89.14 109.21 20.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.754 HG12 HG22 ' A' ' 84' ' ' VAL . 15.7 mt -104.91 138.94 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mt -126.24 109.59 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 15.9 mtt -100.48 147.16 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.425 ' C ' ' HE2' ' A' ' 105' ' ' LYS . . . 47.8 -125.41 11.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -99.91 -75.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.29 45.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.454 ' CG ' HD11 ' A' ' 53' ' ' ILE . 7.6 m80 -117.05 60.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 101' ' ' ILE . 2.5 t -83.28 154.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.587 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 73.0 m-85 -152.26 139.74 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.552 ' HB2' HD22 ' A' ' 14' ' ' LEU . 24.0 ttt180 -107.72 118.93 38.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 81.0 t80 -79.93 101.78 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -86.45 131.26 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -141.18 80.52 16.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.554 0.692 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 12.5 p-80 -139.15 153.92 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -98.68 132.28 44.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -112.04 138.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.2 75.76 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -77.57 -1.44 30.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -62.53 -175.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 86.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.93 -36.05 56.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.33 162.52 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.636 ' N ' HD12 ' A' ' 25' ' ' LEU . 54.0 m-85 -136.18 135.39 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 25' ' ' LEU . 43.3 m-85 -92.75 134.02 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.7 mt -99.46 130.9 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -83.91 172.1 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.88 99.09 8.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.63 -122.71 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mm -128.22 122.81 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.7 m -111.73 104.46 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -80.55 107.76 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.848 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -89.89 121.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.08 -130.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -110.16 170.69 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -86.36 -24.36 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -59.91 -34.62 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.74 143.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.01 -41.62 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' ARG . 38.8 mmm-85 -113.26 115.39 28.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.0 tpt180 -34.94 127.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -90.75 136.78 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.789 ' HB3' HG23 ' A' ' 33' ' ' THR . 2.6 t70 -42.96 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mt -100.98 118.72 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 38' ' ' ALA . 6.6 t -105.8 115.09 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.848 HD21 HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.489 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.11 151.29 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -119.61 143.88 47.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.784 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -39.45 -42.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.9 mm-40 -119.82 44.19 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.3 t60 -36.81 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.431 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.7 p -142.64 -179.92 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 60' ' ' PHE . 11.0 mt -144.47 160.54 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 79.9 m-85 -136.18 117.96 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -99.9 105.34 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -104.61 90.99 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -126.25 146.75 49.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 15.0 ttm180 -80.27 104.24 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.6 t -41.71 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -53.35 -32.11 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -69.33 -24.19 63.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 107.51 16.01 14.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -108.0 126.95 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.76 132.61 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' ' CD ' ' A' ' 94' ' ' GLN . 6.6 mm -131.27 133.86 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 95' ' ' LEU . 41.6 t -117.27 111.79 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -110.48 125.94 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.915 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.0 tp -82.98 115.91 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.7 80.85 1.03 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.821 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.84 -175.99 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.33 178.94 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CG ' ' HG2' ' A' ' 79' ' ' ARG . 14.3 pt-20 -87.18 -40.63 14.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 78' ' ' GLU . 19.3 mmt85 -89.96 21.91 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -109.44 176.86 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 6.2 tt0 -123.38 54.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 1.3 m -91.96 148.35 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 60.8 m-85 -150.65 136.56 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 HG11 ' A' ' 89' ' ' VAL . 82.6 t -131.39 147.85 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 m120 56.13 30.16 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.49 2.66 69.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -117.73 174.59 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 10.1 tpt180 -80.07 143.79 33.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.821 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.5 p -132.18 104.15 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.1 t -107.1 -16.91 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -112.31 163.65 17.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.35 144.67 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.507 ' HA ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -80.01 109.39 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.5 mm? -48.34 151.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -115.15 132.59 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.0 t -43.67 107.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.43 38.08 5.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.58 ' OD1' HD12 ' A' ' 95' ' ' LEU . 2.8 p30 -109.79 141.85 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.664 ' NE ' HD11 ' A' ' 14' ' ' LEU . 6.8 mmt180 -89.63 133.42 34.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 mt -128.1 123.72 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 108' ' ' VAL . 53.7 mt -107.63 126.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.39 100.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.05 -101.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HD3' ' CD2' ' A' ' 52' ' ' HIS . 13.4 mmmt -120.8 -73.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 m120 -116.55 -0.47 12.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.42 ' CE1' ' H ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.81 78.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 102' ' ' ILE . 1.6 t -101.25 162.02 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 5.7 m-85 -158.83 161.6 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.808 ' HB2' HD22 ' A' ' 14' ' ' LEU . 52.4 ttm-85 -112.72 142.06 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.465 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 41.3 t80 -89.9 127.19 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.409 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.7 t-20 -109.72 128.06 55.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -138.23 72.32 45.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -123.48 104.03 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -93.87 -65.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.13 108.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.929 0.395 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -52.41 151.92 3.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.05 -79.47 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.59 154.36 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 117.37 5.05 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 25' ' ' LEU . 24.3 p-80 -137.24 150.6 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 mt -98.54 135.5 39.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.58 143.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.442 ' CG ' ' SD ' ' A' ' 20' ' ' MET . 32.1 t-20 -83.94 106.72 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -113.84 7.12 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -48.32 173.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -87.87 14.48 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -109.92 80.82 1.84 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.73 24.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.89 -10.89 29.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' ' CG ' ' A' ' 13' ' ' ASN . 8.7 ptt? -38.57 122.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 p -82.69 -4.81 58.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -79.84 174.73 11.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HG ' ' HE1' ' A' ' 26' ' ' TYR . 3.9 m -55.21 156.72 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.7 mm? -83.55 -38.45 21.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -145.06 174.5 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.896 ' N ' HD12 ' A' ' 25' ' ' LEU . 76.1 m-85 -144.52 121.66 11.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.813 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -81.13 131.34 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -92.61 126.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -85.24 -174.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -88.35 123.38 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.777 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 134.71 -135.87 8.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.777 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.3 mp -116.03 119.95 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.881 HG23 ' HB3' ' A' ' 45' ' ' ASP . 20.7 m -107.86 96.92 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' HA ' HG23 ' A' ' 59' ' ' ILE . 40.2 mtt180 -73.65 126.98 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG12 HD21 ' A' ' 48' ' ' LEU . 4.9 t -106.48 102.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 -138.22 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -104.15 166.1 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.57 -1.2 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.88 -20.6 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.65 143.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -38.69 -43.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -108.42 162.82 13.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -77.54 109.22 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -77.9 130.94 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 33' ' ' THR . 28.2 t0 -55.03 -40.22 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mt -124.38 136.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.21 137.11 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.28 161.82 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -97.94 176.43 5.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.57 -172.24 40.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.05 -7.5 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -79.29 9.53 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -102.1 157.23 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -123.69 153.71 40.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -53.52 -37.77 63.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -119.56 38.57 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -37.8 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.432 ' C ' HG13 ' A' ' 59' ' ' ILE . 23.5 p -149.24 -176.12 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 60' ' ' PHE . 13.3 mt -144.63 158.68 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' ILE . 16.9 m-85 -128.12 109.43 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -100.61 124.49 46.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 72' ' ' VAL . 15.4 m -121.46 107.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -137.86 145.35 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 17.0 ttm180 -80.31 104.13 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -41.06 158.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.77 -28.92 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -67.38 -29.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 112.0 17.9 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.428 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -110.92 139.42 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.59 116.17 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mm -117.83 151.04 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.481 HG22 ' OG ' ' A' ' 62' ' ' SER . 87.1 t -126.35 132.12 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -125.21 131.53 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.008 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.7 tp -89.35 124.31 34.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.73 80.59 2.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.679 0.752 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.865 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.83 -178.19 2.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -117.78 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -96.34 -14.15 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.79 31.47 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.6 p -133.57 149.51 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.57 99.16 11.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -128.65 135.51 49.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -132.02 133.76 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' GLY . 16.0 t -119.97 150.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 m120 40.01 25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . 101.57 -40.56 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.7 ptmt -82.56 -174.69 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -86.98 167.23 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 76' ' ' PRO . 9.4 p -146.4 108.62 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.8 t -118.94 -18.03 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -108.68 156.46 38.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 93.61 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.452 ' C ' HG23 ' A' ' 73' ' ' THR . 33.2 m -116.72 156.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -78.02 141.3 38.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mm? -88.53 153.6 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.25 171.62 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -82.66 105.08 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.88 3.29 32.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.599 ' OD1' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.55 145.32 52.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HG2' HG13 ' A' ' 108' ' ' VAL . 16.0 ttp180 -96.06 110.84 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 103' ' ' MET . 6.6 mt -109.25 114.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.532 ' CG1' HG22 ' A' ' 108' ' ' VAL . 1.8 mp -105.3 140.71 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.498 ' CE ' HG22 ' A' ' 101' ' ' ILE . 1.6 mpt? -130.5 99.38 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.29 -106.04 1.95 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -121.57 -69.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -121.35 56.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -125.35 76.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.532 HG22 ' CG1' ' A' ' 102' ' ' ILE . 7.4 t -84.0 161.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 33.2 m-85 -155.2 132.43 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 14' ' ' LEU . 32.5 ttt-85 -96.67 119.68 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 75.0 t80 -81.02 107.35 13.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -94.88 115.39 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 116' ' ' GLN . 2.0 t-80 -118.8 68.84 8.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.32 12.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.49 -45.48 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 0.1 OUTLIER -88.49 -43.79 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.42 -16.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -79.49 -31.95 42.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.12 -12.08 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -39.14 -36.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mmm-85 -70.21 -56.27 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -42.19 -44.19 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -40.98 162.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.29 139.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.5 m -123.07 -44.78 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 127' ' ' PRO . . . -38.46 -63.64 0.95 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 126' ' ' GLY . 52.8 Cg_endo -69.84 164.8 33.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.9 p -121.43 142.42 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.3 m -119.91 177.67 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -39.51 114.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -124.73 -12.43 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 123.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -106.23 126.2 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -90.39 166.23 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 115' ' ' GLU . . . -63.42 127.96 38.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.98 145.59 33.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 137.17 35.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.399 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.499 ' CD2' HD21 ' A' ' 112' ' ' ASN . 45.0 p-80 -159.47 158.11 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 4.1 mt -98.5 132.4 43.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 ' ND2' ' A' ' 112' ' ' ASN . 2.5 t -109.73 137.21 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 7.1 p-10 -72.02 66.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.2 pt? -70.74 0.07 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -55.29 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 9.6 mt-10 -110.28 21.46 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.42 79.98 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 54.0 Cg_endo -69.8 -3.43 12.03 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.36 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.1 mt -95.18 -16.86 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 23' ' ' CYS . 23.2 ptm -35.67 122.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.2 t -87.08 -10.6 52.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -83.03 178.41 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 20' ' ' MET . 3.5 t -56.12 137.85 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' HA ' ' HE1' ' A' ' 20' ' ' MET . 3.8 mm? -73.84 -25.56 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -149.41 161.83 41.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.769 ' N ' HD12 ' A' ' 25' ' ' LEU . 46.7 m-85 -129.36 121.52 27.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 25' ' ' LEU . 22.8 m-85 -82.81 140.12 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.8 mt -111.48 154.87 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -130.73 -174.68 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.08 132.7 35.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -130.65 6.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 10.7 mm -123.34 118.01 53.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 45' ' ' ASP . 23.7 m -110.51 94.27 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -75.1 133.94 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 48' ' ' LEU . 4.6 t -111.89 94.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.6 -128.92 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.564 ' HA ' HG13 ' A' ' 47' ' ' VAL . 10.1 mm100 -116.11 175.31 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -1.6 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -98.36 -25.11 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -42.08 141.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -35.78 -55.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ARG . 5.3 mpt_? -105.5 121.99 45.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' ARG . 19.8 tpp180 -36.78 132.89 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -100.82 130.74 46.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.688 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.0 t70 -51.11 -51.31 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.8 mt -109.86 116.66 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG13 ' HA ' ' A' ' 37' ' ' GLN . 22.3 t -98.91 105.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 35' ' ' VAL . 1.1 mm? -74.1 169.61 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -99.42 171.46 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.69 161.15 3.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.0 6.62 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -87.38 3.53 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.833 HG21 HD23 ' A' ' 48' ' ' LEU . 6.8 mm -105.2 104.16 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -54.07 138.57 37.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 3.4 pm0 -47.21 -28.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.04 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 6.9 t60 -43.86 -70.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 29.6 p -142.16 -176.07 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 22.8 mt -145.06 158.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 36.6 m-85 -131.59 108.43 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 16.0 ttt180 -100.55 136.12 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -131.38 108.94 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 23.7 tp10 -139.27 147.68 42.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 17.0 ttm180 -80.52 105.47 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 t -40.61 160.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.32 -19.79 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -78.82 -23.25 45.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.35 24.5 6.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG3' HD11 ' A' ' 71' ' ' ILE . 5.4 pt-20 -118.32 136.96 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.915 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.88 116.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' A' ' 69' ' ' GLU . 10.0 mm -118.69 154.78 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 95' ' ' LEU . 58.1 t -126.36 129.31 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 m -124.46 130.93 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.883 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -90.78 122.06 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.41 80.11 1.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.844 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 175.08 8.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.0 t -121.44 150.86 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -77.96 5.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -121.08 17.42 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.03 178.0 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.553 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.9 tt0 -116.75 79.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -103.04 148.53 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 84.6 m-85 -146.75 120.26 9.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 74' ' ' LEU . 44.2 t -122.18 137.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.4 32.8 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.41 1.77 66.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -120.38 176.36 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 6.8 tpt180 -86.83 139.55 30.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -123.09 107.76 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -110.98 -20.09 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -109.27 158.0 35.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.16 2.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.44 159.99 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -77.62 143.48 38.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.3 mm? -85.87 154.51 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.1 tpp180 -103.92 129.23 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 t -45.41 90.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 105.59 38.64 2.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 6.2 p30 -98.1 146.3 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.464 ' NH1' HG11 ' A' ' 108' ' ' VAL . 38.1 mtp85 -82.26 120.54 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.524 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.5 mt -120.66 122.21 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 108' ' ' VAL . 16.9 mt -111.65 134.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.524 ' SD ' HG22 ' A' ' 101' ' ' ILE . 1.1 mpt? -132.89 98.25 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' A' ' 53' ' ' ILE . . . 92.64 -115.73 4.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -132.16 131.9 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.4 41.45 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.74 ' ND1' HD11 ' A' ' 53' ' ' ILE . 6.4 m80 -127.47 53.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -95.01 126.66 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.547 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -124.44 165.3 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.959 ' HB2' HD22 ' A' ' 14' ' ' LEU . 7.1 tpt180 -108.63 113.84 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 66.3 t80 -79.88 101.57 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.499 HD21 ' CD2' ' A' ' 10' ' ' HIS . 1.5 p30 -92.83 163.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 17.8 t-80 -159.09 73.92 3.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.36 3.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.283 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.9 mm-40 -86.77 -46.15 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -85.94 -39.46 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.71 -24.66 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -61.18 -39.32 89.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.07 -30.22 18.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.0 -31.56 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -69.19 -31.3 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.44 -16.52 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 124' ' ' THR . 16.5 tttm -88.4 151.35 22.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.474 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 1.3 t -97.32 148.06 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.9 t -101.82 177.95 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -166.34 75.63 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -46.78 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.724 2.283 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t -86.56 137.36 32.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t 50.12 38.18 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -146.06 149.68 34.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -97.9 177.55 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.3 63.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -115.29 -20.93 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -103.84 28.23 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.6 166.02 10.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.33 148.73 0.9 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.122 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' CD2' HD13 ' A' ' 25' ' ' LEU . 26.3 p-80 -151.73 158.93 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 60' ' ' PHE . 41.0 mt -105.73 126.88 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.641 ' CG2' ' ND2' ' A' ' 112' ' ' ASN . 1.5 t -99.08 136.69 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 10.3 t-20 -82.74 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.791 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -76.51 6.74 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.581 HD22 ' HA ' ' A' ' 107' ' ' HIS . 9.0 m-20 -48.36 177.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -98.68 7.09 46.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -107.44 80.8 0.95 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.13 6.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.9 mt -101.54 -15.16 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 ptt? -34.54 123.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.2 t -66.57 -10.32 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -78.35 176.24 9.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t -71.44 152.22 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.65 -38.37 90.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.858 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.59 174.17 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.858 ' N ' HD12 ' A' ' 25' ' ' LEU . 37.2 m-85 -134.84 121.51 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mt -80.9 120.49 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.94 175.58 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.88 94.13 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 171.78 -139.14 5.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.665 HD11 ' NH1' ' A' ' 61' ' ' ARG . 3.0 mp -120.21 103.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 45' ' ' ASP . 21.2 m -94.69 94.44 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 59' ' ' ILE . 91.2 mtt180 -64.01 145.06 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG21 ' CE2' ' A' ' 60' ' ' PHE . 5.3 t -118.47 108.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -144.48 4.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.63 161.12 13.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.92 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.66 -18.95 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -44.98 142.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ALA . 6.1 mt-10 -35.61 -58.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -179.72 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -97.37 100.69 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -76.52 123.75 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.819 ' HB3' HG23 ' A' ' 33' ' ' THR . 6.0 t0 -54.45 -49.78 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.41 121.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.82 124.74 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -103.31 174.03 6.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -55.95 172.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.06 46.42 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.29 -66.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' ND1' ' NZ ' ' A' ' 105' ' ' LYS . 34.1 m170 -125.74 33.22 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 11.1 mm -104.22 155.33 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.7 mptt -110.16 143.77 39.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -49.91 -38.26 35.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 77.1 mt-10 -128.17 39.77 3.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 7.6 t60 -34.97 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 26.5 p -142.65 179.63 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.8 mt -142.01 152.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 35' ' ' VAL . 51.3 m-85 -116.78 112.77 21.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.665 ' NH1' HD11 ' A' ' 32' ' ' ILE . 35.5 ttm-85 -106.51 122.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.5 p -108.23 106.53 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.44 134.21 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 9.2 ttm180 -80.38 105.18 11.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.7 t -40.67 153.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -48.27 -25.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.5 p -71.2 -34.8 71.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 119.64 16.66 4.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' CD ' HD11 ' A' ' 71' ' ' ILE . 5.8 pt-20 -109.55 134.29 52.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.7 116.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.9 mm -120.2 133.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 95' ' ' LEU . 53.2 t -107.02 137.95 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -125.38 136.05 53.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.912 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -94.57 123.48 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.13 80.68 1.92 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.674 0.749 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.804 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 155.89 64.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.07 167.03 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -5.43 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -125.91 23.43 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -124.57 168.69 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' HIS . 5.2 mp0 -111.61 103.95 12.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.599 HG21 HD21 ' A' ' 74' ' ' LEU . 6.2 m -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 88' ' ' ARG . 94.0 m-85 -129.44 122.29 29.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 101' ' ' ILE . 21.7 t -116.66 129.83 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.2 m120 57.88 30.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.33 -32.65 5.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -84.2 175.75 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -95.62 132.33 40.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.804 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.1 p -110.39 117.89 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -123.13 -14.86 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -114.72 160.62 32.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 95.62 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -116.99 158.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -81.61 135.36 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -81.52 146.99 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 97' ' ' SER . 9.0 tpp180 -99.31 125.36 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 96' ' ' ARG . 40.2 t -36.15 99.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 96.46 42.98 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.716 ' OD1' HD11 ' A' ' 101' ' ' ILE . 1.3 p30 -98.57 137.82 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.65 ' HG2' HG11 ' A' ' 108' ' ' VAL . 15.2 ttp180 -82.4 111.92 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.716 HD11 ' OD1' ' A' ' 99' ' ' ASN . 6.5 mt -116.25 124.79 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.823 HG12 HG22 ' A' ' 108' ' ' VAL . 17.4 mt -117.81 125.81 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' HG11 ' A' ' 35' ' ' VAL . 7.2 mtt -106.49 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.78 -74.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 18.7 mmtm -80.57 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 p-10 -78.17 9.53 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.581 ' HA ' HD22 ' A' ' 15' ' ' ASN . 28.9 m-70 -63.81 74.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -90.99 135.1 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CB ' HD22 ' A' ' 11' ' ' LEU . 98.5 m-85 -121.8 151.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.9 ttp180 -100.78 122.42 43.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 38.0 t80 -79.52 97.78 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.641 ' ND2' ' CG2' ' A' ' 12' ' ' VAL . 1.5 m-80 -84.82 136.16 33.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -150.01 72.57 9.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 0.32 5.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -82.51 -47.16 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -83.91 -45.64 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.55 -30.0 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -35.11 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -22.79 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.98 -36.1 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -69.66 -49.5 53.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.8 -40.31 60.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -65.19 148.69 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.5 t -52.85 -177.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -172.09 163.18 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.428 ' N ' ' HD2' ' A' ' 127' ' ' PRO . . . 164.35 -61.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 126' ' ' GLY . 53.9 Cg_endo -69.71 144.61 54.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 p -67.25 116.89 8.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.4 p -121.74 134.49 54.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -52.53 174.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -158.99 109.38 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.98 88.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -103.29 125.31 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -109.02 38.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.81 98.53 1.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.9 m -125.88 139.18 33.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.72 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CD2' HD13 ' A' ' 25' ' ' LEU . 52.9 p-80 -140.01 150.52 44.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.24 136.01 44.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.36 139.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 16.5 t-20 -91.63 101.63 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.817 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.3 pt? -105.66 7.06 32.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -44.18 168.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.48 6.75 11.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.77 80.15 0.95 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.55 0.691 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -6.16 17.91 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.0 mt -102.7 -2.18 28.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.464 ' CE ' HD13 ' A' ' 24' ' ' LEU . 5.6 ptt? -35.7 114.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -60.69 -10.16 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.06 178.05 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 9.0 p -61.24 166.62 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD13 ' CE ' ' A' ' 20' ' ' MET . 2.3 mm? -86.44 -32.99 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.42 161.91 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.0 m-85 -118.62 127.39 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.9 m-85 -95.12 98.93 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 29' ' ' LYS . 8.7 mt -66.57 160.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -127.99 -174.38 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 123.93 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.12 -137.91 9.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.0 114.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 45' ' ' ASP . 34.0 m -104.23 98.65 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -75.91 133.93 40.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.003 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -112.55 131.91 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.42 -134.92 2.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -99.27 168.58 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.96 37.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -83.55 -24.62 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -40.56 136.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ALA . 5.6 mm-40 -35.13 -58.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.8 mpt_? -91.49 107.79 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -37.99 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 50.0 mm-40 -67.61 123.95 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.799 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.5 t70 -49.04 -44.7 41.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.4 115.95 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.19 127.06 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.003 HD21 HG12 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -93.29 155.14 17.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t -108.42 68.86 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.29 -162.1 10.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.06 -34.92 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.11 3.86 44.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 mm -67.38 145.77 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.83 157.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -48.04 -43.74 30.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' HIS . 79.7 mt-10 -122.18 42.27 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.7 t60 -34.6 -68.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.4 p -143.02 178.57 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -139.94 153.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.43 108.64 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -100.74 136.47 40.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -125.1 108.11 11.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -134.34 144.22 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.908 ' NH1' HG23 ' A' ' 70' ' ' VAL . 16.5 ttm-85 -80.44 106.54 12.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.4 t -41.59 157.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -55.37 -18.74 7.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -79.68 -23.33 42.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 18.99 9.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.78 132.06 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.959 0.409 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' NH1' ' A' ' 64' ' ' ARG . 54.7 t -68.99 126.74 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.2 mm -129.92 153.67 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG12 HD23 ' A' ' 95' ' ' LEU . 83.5 t -122.64 140.33 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.56 138.88 52.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 89' ' ' VAL . 6.3 tp -97.47 116.46 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.2 79.83 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.661 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.81 175.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.2 t -113.18 154.31 26.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.76 -28.94 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -93.78 8.96 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -111.75 -177.91 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -134.08 113.31 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.525 HG21 HD21 ' A' ' 74' ' ' LEU . 7.3 m -138.72 150.33 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 97.9 m-85 -142.87 122.9 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.714 HG22 HG12 ' A' ' 101' ' ' ILE . 6.5 t -112.49 123.16 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.33 35.97 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.74 -38.81 3.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -71.45 -176.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -104.83 138.74 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 74' ' ' LEU . 12.5 p -117.01 105.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 t -117.7 -2.36 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -127.04 157.98 70.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.15 161.38 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -81.25 141.8 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.72 153.8 21.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' GLY . 1.8 tmm_? -106.98 122.09 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -42.25 94.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 112.04 35.47 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.3 p30 -107.5 144.0 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.576 ' NH2' HD11 ' A' ' 102' ' ' ILE . 1.1 mtp-105 -85.63 114.84 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.714 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -114.78 107.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.725 HG13 HG22 ' A' ' 108' ' ' VAL . 5.0 mp -92.79 144.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.6 mpt? -126.21 99.05 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HE2' ' A' ' 57' ' ' HIS . . . 66.82 -77.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 102' ' ' ILE . 1.3 mmpt? -87.15 -175.53 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -76.19 49.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -106.71 80.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 102' ' ' ILE . 1.4 t -84.13 150.33 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.424 ' CE1' ' SD ' ' A' ' 103' ' ' MET . 60.3 m-85 -133.82 142.48 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.4 ttp85 -97.13 112.28 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' GLY . 61.3 t80 -80.12 111.76 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.86 118.95 37.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 2.0 t-80 -124.3 78.75 60.68 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -37.57 8.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -59.47 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -40.08 94.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.69 -27.27 49.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -57.19 -24.78 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.9 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.02 -46.33 52.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -58.06 -32.98 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.5 5.28 18.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -42.79 -55.35 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.0 p -92.92 106.35 18.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.7 p -97.13 104.19 16.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.576 ' N ' ' CD ' ' A' ' 127' ' ' PRO . . . -141.9 44.75 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 126' ' ' GLY . 54.1 Cg_endo -69.75 -1.36 8.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t 45.96 41.63 8.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 m -71.84 76.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -147.09 111.59 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -96.81 87.28 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.41 60.57 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -77.26 80.04 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 73.7 m -75.6 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.66 46.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.67 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m -61.29 139.25 94.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.542 0.687 . . . . 0.0 111.165 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 24.6 p-80 -160.26 154.54 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -102.1 126.06 48.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -101.92 131.98 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 50.9 t-20 -77.11 104.12 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -109.65 1.88 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -46.12 165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.28 6.87 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.46 80.45 0.91 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.14 3.81 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.6 mt -108.93 -13.14 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.46 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -35.57 123.05 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 t -69.76 -2.68 12.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.21 167.59 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 8.0 m -68.12 128.15 35.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' CE ' ' A' ' 20' ' ' MET . 6.1 mt -39.59 -53.02 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -142.9 167.45 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.746 ' N ' HD12 ' A' ' 25' ' ' LEU . 38.8 m-85 -132.56 142.43 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 25' ' ' LEU . 27.2 m-85 -99.3 106.99 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -69.01 127.4 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -84.46 176.32 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.36 128.36 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.88 -119.9 2.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.574 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 4.4 mm -127.75 122.62 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 45' ' ' ASP . 61.3 m -119.27 94.34 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -78.41 127.87 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 60' ' ' PHE . 3.0 t -99.34 100.65 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.09 -140.53 3.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -100.57 170.3 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -85.27 -11.63 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 24.0 t0 -92.0 -25.37 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.7 143.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.0 mt-10 -37.15 -57.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -92.74 144.6 25.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -62.0 96.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.13 126.13 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.593 ' HB3' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -47.34 -54.79 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -113.23 120.56 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 38' ' ' ALA . 49.8 t -101.55 111.4 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 4.4 mm? -77.34 169.38 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -110.62 102.26 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.47 126.68 0.96 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.29 -30.27 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -56.41 -48.99 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -43.25 116.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -72.11 142.25 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -44.75 -34.24 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.78 53.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -51.17 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.5 p -146.82 -178.82 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 60' ' ' PHE . 35.3 mt -141.77 158.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 35' ' ' VAL . 40.8 m-85 -128.73 107.75 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -99.43 127.86 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -117.91 104.59 11.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -133.8 141.76 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 20.9 ttp180 -80.52 122.89 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -62.1 -175.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -71.69 -14.32 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 t -95.79 5.44 51.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 78.25 13.52 83.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.5 pt-20 -96.91 121.74 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.9 t -68.1 113.75 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -110.5 140.82 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.809 HG12 HD23 ' A' ' 95' ' ' LEU . 76.9 t -115.25 134.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -127.04 140.41 52.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 84' ' ' VAL . 6.4 tp -101.93 127.27 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.66 80.77 5.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.82 171.26 14.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.12 179.23 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.21 -27.52 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -121.97 40.41 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.4 p -120.5 162.94 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -98.81 73.82 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -112.61 151.9 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 58.5 m-85 -154.72 126.77 7.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.884 HG21 HD22 ' A' ' 74' ' ' LEU . 3.0 t -131.49 144.44 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 73.31 28.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.77 68.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -132.9 -175.04 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 19.6 ttp180 -76.38 148.09 37.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 15.0 p -127.2 99.29 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 m -113.91 15.54 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -146.85 153.58 46.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 103.25 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.465 ' C ' HG23 ' A' ' 73' ' ' THR . 32.2 m -118.89 154.63 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.92 99.31 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.874 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.2 mm? -38.75 142.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -104.3 132.24 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -42.85 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.8 26.42 10.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.609 ' ND2' ' CB ' ' A' ' 111' ' ' PHE . 8.9 p30 -80.82 145.85 31.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -90.19 120.45 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.72 HG23 ' CG2' ' A' ' 84' ' ' VAL . 3.6 mt -116.38 145.3 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 108' ' ' VAL . 21.3 mt -142.71 141.06 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -136.49 151.45 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 105' ' ' LYS . . . 35.16 -103.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 6.6 mptt -147.21 137.68 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.47 27.45 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 105' ' ' LYS . 21.2 m80 -119.13 50.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 102' ' ' ILE . 7.7 t -83.28 152.4 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.9 m-85 -152.95 144.85 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -106.02 136.41 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.609 ' CB ' ' ND2' ' A' ' 99' ' ' ASN . 39.1 t80 -88.75 125.0 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.0 t-20 -116.31 103.07 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.0 t-80 -119.73 78.6 22.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.558 0.694 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.38 5.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.485 ' O ' ' CD ' ' A' ' 118' ' ' ARG . 5.3 tt0 -86.23 -47.19 9.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.82 -36.68 56.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.26 -14.19 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -73.11 -21.41 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ARG . . . -82.99 -21.58 33.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -41.38 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 122' ' ' GLU . 21.1 ptt85 -79.35 -49.2 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 121' ' ' ARG . 4.2 pt-20 -59.92 -42.88 94.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 122' ' ' GLU . 7.3 pttp -71.85 173.83 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.8 m -87.67 147.75 25.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.25 119.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -147.72 -170.97 16.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.42 68.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.7 p -95.26 178.23 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.3 p -113.75 98.35 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -157.99 145.86 18.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -102.07 175.4 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.11 98.59 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -124.89 111.17 15.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -133.1 148.0 52.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.59 134.18 11.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.1 m -142.48 139.22 17.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.556 0.694 . . . . 0.0 111.142 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -150.02 151.35 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.22 136.66 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.43 151.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -90.41 75.64 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.5 pt? -78.69 6.78 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.543 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -48.63 177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 7.1 pt-20 -88.02 5.62 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -107.48 80.55 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.7 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' MET . 4.4 mt -108.64 -9.67 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -34.56 122.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 p -71.78 -1.85 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -85.72 169.85 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 89.0 m -50.9 148.49 4.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD13 ' HE3' ' A' ' 20' ' ' MET . 1.3 mm? -87.37 -42.25 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.43 162.12 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.633 ' N ' HD12 ' A' ' 25' ' ' LEU . 59.7 m-85 -132.16 124.76 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.81 106.88 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mt -69.12 122.87 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -86.27 159.33 19.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.39 76.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -172.04 -125.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 2.8 mm -131.88 112.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 45' ' ' ASP . 54.4 m -96.97 94.25 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.643 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.8 mtt85 -65.51 126.35 28.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.2 t -111.67 93.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' O ' HD22 ' A' ' 48' ' ' LEU . . . -166.12 -138.58 2.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.479 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -91.2 163.16 14.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.73 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -88.77 -25.01 22.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' ALA . 59.0 m-20 -75.32 -20.17 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.28 152.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -34.46 -40.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -121.51 178.46 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -88.07 116.45 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -86.5 158.12 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.526 ' CB ' HG23 ' A' ' 33' ' ' THR . 1.6 m-20 -70.67 -63.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -100.02 108.77 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.73 HG11 ' HB2' ' A' ' 38' ' ' ALA . 12.3 t -92.57 122.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -98.83 178.53 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.8 t -120.91 179.07 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.76 -173.48 36.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.28 -8.27 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -89.62 39.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.575 HG22 ' N ' ' A' ' 54' ' ' LYS . 3.3 mm -134.58 162.06 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' N ' HG22 ' A' ' 53' ' ' ILE . 42.0 mmtt -122.16 151.66 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.15 -45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.8 mm-40 -122.23 39.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 8.7 t60 -34.55 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.8 t -172.22 -179.74 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.703 ' O ' HD12 ' A' ' 74' ' ' LEU . 13.0 mt -156.44 168.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 101' ' ' ILE . 28.0 m-85 -139.42 106.72 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.721 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.9 ttt-85 -99.57 136.08 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -128.98 126.5 39.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -157.9 143.38 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -80.43 130.88 35.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 t -70.13 177.73 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -67.46 -9.01 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.6 p -100.53 0.36 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.3 84.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.7 pt-20 -86.93 119.85 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG12 ' HE2' ' A' ' 113' ' ' HIS . 75.3 t -66.15 108.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.44 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.8 mm -109.36 145.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 61' ' ' ARG . 16.1 t -124.04 145.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -134.28 132.99 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.952 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.6 tp -96.91 140.91 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -125.03 81.97 62.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.669 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.79 146.99 61.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.33 -179.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -91.55 124.9 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 65.8 27.16 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -89.51 -174.49 4.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.55 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -115.45 78.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.528 HG21 ' SG ' ' A' ' 58' ' ' CYS . 1.3 m -132.19 122.95 26.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.14 130.96 53.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' LYS . 55.7 t -116.74 128.71 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m120 63.36 25.02 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.79 -28.38 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 84' ' ' VAL . 14.0 pttt -92.68 171.3 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 7.3 tpt180 -84.63 147.23 27.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.3 p -124.91 106.68 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -120.2 16.45 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.3 pt20 -142.54 155.38 63.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 94.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.614 HG13 ' HG2' ' A' ' 91' ' ' GLN . 32.6 m -118.58 167.94 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.65 141.24 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.952 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.4 mm? -87.51 161.59 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NH1' ' OE1' ' A' ' 116' ' ' GLN . 2.1 mmp_? -119.14 163.95 16.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -72.21 109.6 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.49 57.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.478 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 2.6 p30 -67.34 130.64 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -82.1 117.56 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.735 HD13 ' CZ ' ' A' ' 60' ' ' PHE . 15.5 mt -114.82 113.22 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.91 122.45 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.451 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -115.33 145.77 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 50.75 -116.9 4.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -116.97 -71.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -107.26 45.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 36.5 m-70 -125.28 58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 8.1 t -83.7 159.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 85.7 m-85 -154.9 144.82 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.746 ' HB2' HD22 ' A' ' 14' ' ' LEU . 34.8 ttm180 -112.47 128.02 56.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.591 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 43.0 t80 -83.21 138.14 33.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.05 104.1 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 115' ' ' GLU . 8.0 t-80 -113.48 79.33 4.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 1.2 4.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' OE1' ' CE1' ' A' ' 113' ' ' HIS . 16.0 mp0 -83.5 -52.2 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.513 HE21 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -68.16 -45.56 73.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.513 ' N ' HE21 ' A' ' 116' ' ' GLN . . . -58.3 -11.29 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -73.55 -31.41 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 122' ' ' GLU . . . -85.7 -10.48 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -43.48 -43.49 5.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -76.94 -25.06 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' ALA . 43.5 mm-40 -79.98 -1.79 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -46.48 170.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.1 m -62.26 119.16 8.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 p -109.6 87.99 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -110.53 78.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 158.83 55.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.364 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.3 t -106.05 -37.66 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 t -109.24 98.94 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -85.73 132.56 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.391 . . . . 0.0 110.795 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -162.37 166.79 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.41 -130.44 2.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -94.17 -177.53 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 38.7 m -56.27 160.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.08 71.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.554 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -76.09 139.24 68.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.596 0.713 . . . . 0.0 111.172 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.75 144.27 53.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 44.4 p-80 -161.19 153.38 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.603 HD11 HD11 ' A' ' 28' ' ' ILE . 6.2 mt -108.0 130.58 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.5 144.99 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.3 t-20 -90.08 75.39 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.771 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -77.27 6.22 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.96 164.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -84.16 3.63 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.6 80.12 0.9 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -6.51 18.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.5 mt -95.39 -13.63 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 7.6 ptt? -36.62 122.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -75.5 3.38 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 51.3 mp0 -87.43 -175.99 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.5 m -67.87 145.92 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 4.0 mm? -72.36 -41.5 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.94 163.45 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 73.4 m-85 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD1' HD11 ' A' ' 25' ' ' LEU . 33.5 m-85 -81.28 114.25 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 11' ' ' LEU . 2.2 mt -79.89 107.6 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -101.64 77.99 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.801 ' C ' HD12 ' A' ' 32' ' ' ILE . . . -179.0 -118.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -115.53 125.35 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' CG ' ' A' ' 45' ' ' ASP . 98.1 m -126.33 99.09 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 59' ' ' ILE . 44.9 mtt180 -83.87 130.92 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 60' ' ' PHE . 14.9 t -107.24 104.0 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.94 -142.97 3.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -102.57 162.48 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.1 -19.28 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.6 m-20 -68.94 -38.61 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -34.1 133.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.4 mt-10 -35.04 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ALA . 13.4 mmt180 -119.97 104.7 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 54.0 ttt180 -34.99 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 7.6 mm100 -54.07 166.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.696 ' CG ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -76.28 -55.21 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.637 HG22 HD21 ' A' ' 48' ' ' LEU . 8.9 mt -107.51 114.21 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 48' ' ' LEU . 10.1 t -87.36 124.41 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -109.42 162.02 14.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 m -105.88 159.42 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.37 167.96 20.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.87 -36.71 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -53.89 -17.71 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -79.27 149.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -119.97 149.97 41.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 4.9 pm0 -46.77 -34.58 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -129.17 39.79 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.5 t60 -38.96 -42.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' HG13 ' A' ' 59' ' ' ILE . 4.0 t -167.36 175.39 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 60' ' ' PHE . 25.1 mt -144.96 166.49 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE2' HG21 ' A' ' 35' ' ' VAL . 80.2 m-85 -137.04 109.46 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' HG13 ' A' ' 72' ' ' VAL . 15.0 ttm180 -102.01 129.5 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 m -124.09 112.53 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 2.4 tm-20 -142.7 144.51 32.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -80.53 125.33 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -64.39 -179.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -68.76 -20.34 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -86.05 -2.63 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.35 6.28 78.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 3.5 pt-20 -91.84 126.62 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 47.5 t -66.54 100.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 10.6 mm -103.09 124.46 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 61' ' ' ARG . 67.2 t -108.72 142.25 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.6 m -131.56 151.14 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.746 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -102.13 153.26 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.59 80.89 13.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.544 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.73 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.25 171.3 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.66 -28.18 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -100.39 26.43 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -132.06 169.74 15.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -119.94 89.4 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -107.48 140.36 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 97.8 m-85 -133.25 126.21 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 87' ' ' LYS . 20.7 t -115.06 127.66 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.71 28.42 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.44 -24.05 24.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' VAL . 30.0 pttt -96.75 167.46 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 37.2 ttp180 -77.48 160.59 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.3 p -144.37 111.78 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.84 -18.37 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -112.37 155.68 43.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 111.85 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.459 ' C ' HG23 ' A' ' 73' ' ' THR . 21.9 m -131.11 156.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -75.66 119.96 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.7 mm? -64.53 153.28 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -106.99 140.5 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 t -57.23 92.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.83 29.24 2.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 5.5 p30 -96.65 133.94 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -82.39 115.48 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.661 HD13 ' CE1' ' A' ' 60' ' ' PHE . 6.9 mt -108.82 116.72 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.593 HG13 HG13 ' A' ' 108' ' ' VAL . 4.8 mp -105.26 155.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.3 mpt? -140.87 105.52 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.74 29.09 73.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt 44.0 34.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -125.72 -32.29 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CG ' HD12 ' A' ' 48' ' ' LEU . 40.2 m80 -127.68 131.94 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.593 HG13 HG13 ' A' ' 102' ' ' ILE . 15.0 t -128.6 114.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 107' ' ' HIS . 19.2 m-85 -121.21 154.74 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.58 ' HB2' HD22 ' A' ' 14' ' ' LEU . 12.8 tpp85 -112.1 132.15 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 18.6 t80 -79.46 132.97 36.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.0 t-20 -118.62 110.89 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 15.2 t-80 -124.93 80.73 63.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -23.78 30.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -62.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ARG . 4.9 tp-100 -61.3 -46.41 90.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.01 -26.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 5.6 ptm180 -62.36 -46.15 89.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 118' ' ' ARG . . . -84.71 -10.98 56.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' CG ' ' HG3' ' A' ' 116' ' ' GLN . 8.2 mm-40 -76.21 -24.8 54.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -41.02 6.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 123' ' ' LYS . 13.2 pt-20 -43.28 -42.59 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -35.51 143.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.726 ' O ' HG22 ' A' ' 124' ' ' THR . 91.2 m 41.15 42.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 p -65.74 112.9 3.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.78 154.49 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.12 22.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.314 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.03 -51.89 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.1 m -63.11 152.33 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -67.66 123.93 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -86.89 107.9 18.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.72 -69.63 1.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 56.12 40.97 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -106.4 101.61 11.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.02 3.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.679 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -132.88 139.2 33.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.77 139.88 41.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 30.4 p-80 -158.38 150.56 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 60' ' ' PHE . 83.7 mt -98.33 135.04 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.21 127.14 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.704 ' OD1' ' HE2' ' A' ' 20' ' ' MET . 0.1 OUTLIER -66.35 74.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.46 7.26 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.48 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 3.8 pt-20 -107.44 7.69 29.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -107.45 81.17 1.02 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.7 Cg_endo -69.77 -3.48 12.09 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.9 mt -95.33 -20.3 19.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.704 ' HE2' ' OD1' ' A' ' 13' ' ' ASN . 4.2 ptt? -34.49 123.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.2 t -82.98 14.04 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -98.09 -179.3 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 61.2 m -61.6 138.65 58.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HA ' ' HE2' ' A' ' 20' ' ' MET . 5.5 mt -76.9 -41.04 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.62 163.43 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.79 ' N ' HD12 ' A' ' 25' ' ' LEU . 56.9 m-85 -133.3 131.57 40.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -90.76 101.05 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.21 121.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -85.16 177.74 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -82.73 123.93 29.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 133.06 -128.02 4.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -113.23 127.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 45' ' ' ASP . 54.0 m -131.17 95.16 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' OE1' ' A' ' 44' ' ' GLN . 36.5 mtt85 -76.53 146.84 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -117.59 124.68 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.28 -178.71 31.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 49' ' ' SER . 1.4 mm100 -45.6 164.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.21 -46.46 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 64.5 m-20 -66.55 -16.7 64.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -34.6 136.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.8 mt-10 -34.86 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 5.3 mmp_? -112.04 136.89 50.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -54.59 125.74 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 42' ' ' ARG . 1.4 mm-40 -114.69 125.17 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 33' ' ' THR . 20.4 t70 -61.39 -51.54 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.77 HG22 HD21 ' A' ' 48' ' ' LEU . 20.0 mt -97.09 111.54 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.604 ' C ' HD22 ' A' ' 48' ' ' LEU . 5.0 t -95.49 124.19 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -112.82 -176.64 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 40.6 t -47.97 168.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -123.28 8.74 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.86 -20.51 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -129.4 -52.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 13.1 mm -56.98 153.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 13.5 mmtp -101.95 155.35 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -45.72 -43.53 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -126.87 48.85 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.0 t60 -35.0 -66.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.2 p -144.09 179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.0 mt -134.4 159.44 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 11' ' ' LEU . 18.5 m-85 -134.18 109.08 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -106.89 107.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -101.71 110.69 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.64 143.01 45.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 21.6 ttp180 -80.39 125.15 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 t -62.57 -179.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.71 -29.05 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -77.18 -2.42 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.11 27.79 43.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.18 124.55 52.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 79.7 t -63.47 127.41 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mm -126.69 145.53 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.802 HG12 HD23 ' A' ' 95' ' ' LEU . 95.6 t -116.34 148.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -138.07 157.76 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.5 tp -122.87 116.83 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 82.39 2.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.757 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.74 166.62 26.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.95 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.83 -8.93 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -119.2 25.85 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -121.9 146.76 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -105.67 82.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -113.69 143.26 44.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 77.1 m-85 -134.35 111.27 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 101' ' ' ILE . 75.2 t -106.69 140.25 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.21 44.34 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.23 9.13 34.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . 22.6 mmtp -128.26 171.71 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 3.7 ttm180 -89.22 129.55 35.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.757 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.1 p -101.68 129.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -137.95 18.04 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.661 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.6 pt20 -149.85 156.29 38.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 93.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.661 HG13 ' HG2' ' A' ' 91' ' ' GLN . 26.3 m -114.86 146.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.33 107.77 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.802 HD23 HG12 ' A' ' 72' ' ' VAL . 2.4 mm? -54.06 150.56 7.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' GLY . 3.8 tpm_? -103.47 137.45 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -54.54 84.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 127.19 17.24 2.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.431 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.575 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.7 p30 -84.88 133.99 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 102' ' ' ILE . 12.6 ttm-85 -82.7 121.0 26.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 84' ' ' VAL . 14.9 mt -119.61 129.71 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.684 HG13 HG13 ' A' ' 108' ' ' VAL . 4.1 mp -115.3 143.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -133.85 138.14 45.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.03 -107.69 2.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -115.37 -75.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.62 50.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -116.82 75.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG13 HG13 ' A' ' 102' ' ' ILE . 1.5 t -86.64 161.72 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 97.3 m-85 -159.92 135.49 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.797 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.6 ttt180 -100.34 120.23 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 72' ' ' VAL . 6.9 t80 -79.21 101.18 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.495 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 10.9 m-20 -82.47 158.02 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 5.8 t-80 -161.1 78.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.34 5.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' OE1' ' CG ' ' A' ' 113' ' ' HIS . 48.6 mp0 -75.69 -60.94 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -78.55 -43.34 26.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.27 -17.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.14 -33.02 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -46.92 -27.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.24 -33.4 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -77.55 -26.52 51.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.73 -31.7 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -43.49 167.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.4 m -40.24 102.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.3 p -130.45 131.41 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.69 147.14 43.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.93 8.76 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.27 14.64 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m -58.34 166.1 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -83.46 -9.97 58.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.31 147.66 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.76 110.95 2.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -51.58 100.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.42 -62.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' HG3' ' A' ' 115' ' ' GLU . . . 99.07 127.27 5.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m -147.37 139.19 13.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.576 0.703 . . . . 0.0 111.157 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.7 129.15 17.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 56.5 p-80 -152.81 151.5 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.33 132.3 44.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.76 146.64 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.07 123.25 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 pt? -132.74 6.41 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -58.39 -177.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.05 6.11 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -108.41 80.61 1.18 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.19 3.78 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.4 mt -111.64 -8.65 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.505 ' HE1' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -34.73 123.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 m -60.9 -10.1 5.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -74.69 167.06 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.4 t -72.54 137.81 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD22 ' HE1' ' A' ' 20' ' ' MET . 4.5 mm? -46.78 -38.42 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.5 170.14 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 25' ' ' LEU . 51.9 m-85 -140.94 121.54 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.56 109.24 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.88 107.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.22 174.16 8.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -83.48 113.55 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.48 -113.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mm -131.95 118.58 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 45' ' ' ASP . 17.3 m -109.3 95.21 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.5 mtm180 -74.37 129.74 38.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 60' ' ' PHE . 20.9 t -114.31 90.75 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.63 -112.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 20.1 mt-30 -121.82 177.76 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -92.59 -25.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 4.1 m-20 -71.76 -20.39 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.623 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . . . -37.2 150.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.05 -41.13 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -107.25 178.47 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -84.06 90.77 7.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.623 ' HG2' ' HB3' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -60.74 130.05 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.9 t70 -53.14 -56.12 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.713 ' CG2' HD11 ' A' ' 48' ' ' LEU . 14.5 mt -110.77 144.93 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 48' ' ' LEU . 60.2 t -126.24 123.11 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -119.53 160.66 21.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' ALA . 40.5 t -127.19 -72.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' SER . . . 34.28 -94.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t60 75.39 50.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 23.6 mm -109.9 129.25 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -102.2 158.41 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -124.98 30.43 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.528 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 5.8 t60 -39.11 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.9 t -170.62 179.88 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 74' ' ' LEU . 11.0 mt -154.32 167.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 24.4 m-85 -143.28 116.72 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -99.37 145.67 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -129.57 123.03 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -156.97 131.41 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 64' ' ' ARG . 4.6 ttm105 -80.33 121.33 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 37.3 t -54.1 179.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -71.09 -14.65 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -84.79 -37.24 21.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.22 14.74 2.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -102.97 131.59 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 38.4 t -72.14 108.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -85.21 154.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 95' ' ' LEU . 85.2 t -138.05 114.88 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.21 137.1 52.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.957 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -99.35 154.66 18.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 2.8 mm-40 -141.69 81.45 14.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 177.38 5.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -106.78 166.17 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -89.99 -6.19 55.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -125.12 29.91 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -130.47 -176.17 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 5.1 mp0 -129.07 92.9 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 89' ' ' VAL . 4.0 m -121.01 124.04 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.83 122.38 42.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 101' ' ' ILE . 41.9 t -116.41 129.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 63.8 28.72 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.61 -34.23 4.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.88 169.5 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -80.65 161.29 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.678 ' O ' HG13 ' A' ' 89' ' ' VAL . 12.2 p -139.4 107.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 p -111.13 -21.57 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 3.4 mm100 -111.61 161.06 27.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.448 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 54.4 Cg_endo -69.72 116.53 4.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.97 152.8 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -75.41 124.73 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.957 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -70.44 156.15 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -110.85 144.44 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 113' ' ' HIS . 17.8 t -54.22 105.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.43 41.31 4.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.776 ' ND2' HD12 ' A' ' 95' ' ' LEU . 8.1 p-10 -94.03 147.57 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -95.09 106.68 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' A' ' 103' ' ' MET . 4.9 mt -105.83 104.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 108' ' ' VAL . 25.3 mt -97.4 120.25 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -110.0 145.5 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.45 -98.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 -73.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -107.07 50.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.487 ' HD2' HD11 ' A' ' 53' ' ' ILE . 14.2 m-70 -130.05 66.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.693 HG22 HG12 ' A' ' 102' ' ' ILE . 2.5 t -90.68 157.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -152.57 135.99 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -100.18 121.77 41.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 10.4 t80 -79.26 106.02 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.467 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 8.8 m-20 -88.1 112.99 23.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.429 ' CE1' ' H ' ' A' ' 116' ' ' GLN . 1.9 t-80 -117.01 72.28 5.99 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.53 0.681 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.11 15.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.43 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 28.7 mt-10 -87.44 -59.39 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.429 ' H ' ' CE1' ' A' ' 113' ' ' HIS . 34.7 tp60 -62.21 -38.21 88.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.64 -18.18 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 21.0 ptt180 -73.6 -42.91 60.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 122' ' ' GLU . . . -50.89 -26.77 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.3 pt-20 -37.66 -39.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 122' ' ' GLU . 26.5 ptt180 -63.43 -46.36 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 119' ' ' ALA . 12.1 mm-40 -60.72 -38.74 86.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -85.67 145.32 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 136.29 57.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.2 t -79.71 -3.8 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.55 167.86 15.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.7 2.61 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.746 2.298 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -56.96 178.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.1 p -151.28 139.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -110.26 123.2 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -86.84 47.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.04 -136.97 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -114.33 37.49 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -124.75 53.66 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.26 145.13 3.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.42 145.56 38.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 141.09 44.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -159.68 150.43 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.834 HD11 ' CE2' ' A' ' 60' ' ' PHE . 96.7 mt -98.69 139.66 34.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.65 128.0 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 26.3 t-20 -79.37 95.71 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.5 pt? -101.55 6.76 42.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.545 HD22 ' HG2' ' A' ' 20' ' ' MET . 35.7 p-10 -45.06 161.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.65 5.25 6.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . 0.6 OUTLIER -109.53 80.57 1.59 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.31 3.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 3.3 mt -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.545 ' HG2' HD22 ' A' ' 15' ' ' ASN . 0.0 OUTLIER -34.72 123.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.9 m -61.12 -9.32 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.98 -179.9 2.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.98 137.48 34.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.7 mm? -47.04 -45.14 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -144.39 167.24 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.759 ' N ' HD12 ' A' ' 25' ' ' LEU . 85.2 m-85 -130.74 135.29 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HD11 ' A' ' 25' ' ' LEU . 11.9 m-85 -91.65 127.73 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 60' ' ' PHE . 2.4 mt -95.7 103.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -92.18 79.38 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.66 -128.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 59' ' ' ILE . 2.9 mp -116.79 109.01 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.878 HG23 ' HB3' ' A' ' 45' ' ' ASP . 3.4 m -101.48 101.96 12.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 30.1 mtt-85 -76.91 109.55 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.09 HG12 HD21 ' A' ' 48' ' ' LEU . 2.5 t -91.79 114.03 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.64 -136.42 2.0 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HA ' HG13 ' A' ' 47' ' ' VAL . 11.8 mm-40 -102.17 176.45 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.96 -28.15 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ALA . 9.0 m-20 -57.68 -36.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.837 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.0 150.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -64.18 -46.3 84.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -92.35 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 43' ' ' ARG . 9.0 ttp-105 -41.39 116.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 6.9 mm100 -79.97 157.87 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.878 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.4 t70 -76.58 -46.41 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mt -125.03 112.39 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 37' ' ' GLN . 21.3 t -98.62 111.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.09 HD21 HG12 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -72.97 121.0 19.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -82.79 149.88 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.56 -108.62 1.08 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.81 167.39 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.71 37.65 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 107' ' ' HIS . 11.9 mm -110.61 93.94 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 5.8 mmpt? -53.74 136.3 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.837 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -43.65 -34.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.8 mt-10 -121.27 41.01 3.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.2 t60 -34.41 -64.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 74' ' ' LEU . 30.3 p -156.7 176.64 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.1 mt -141.52 161.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 11' ' ' LEU . 48.6 m-85 -127.21 107.35 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -99.49 108.48 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 95.45 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -122.66 147.93 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 11.1 ttp180 -80.25 117.8 21.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -59.02 173.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -61.92 -19.51 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -88.31 -0.16 56.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.2 14.39 76.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.3 pt-20 -101.72 122.46 43.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 99.3 t -64.72 129.54 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.6 mm -130.27 140.85 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.6 t -117.33 134.48 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -127.74 135.52 50.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.003 HD23 HG21 ' A' ' 89' ' ' VAL . 16.0 tp -87.56 119.54 27.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.55 80.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.987 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.73 174.84 8.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.8 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.19 -37.42 26.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -106.55 34.31 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.8 p -105.31 139.55 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -95.4 59.16 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -97.68 145.75 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -140.89 113.3 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.582 HG22 HG12 ' A' ' 101' ' ' ILE . 84.6 t -109.18 130.38 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 m120 62.31 36.54 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.02 10.05 55.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -118.61 -178.66 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -92.49 129.42 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.003 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -112.55 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 p -109.13 -3.04 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.437 ' CB ' ' HD2' ' A' ' 92' ' ' PRO . 0.0 OUTLIER -131.9 167.0 24.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 91' ' ' GLN . 53.3 Cg_endo -69.79 116.51 4.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 19.3 m -139.37 144.7 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 27.4 mt-30 -67.3 137.53 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.976 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.86 143.53 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.763 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 3.5 tpm_? -106.53 122.04 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.74 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 130.09 22.71 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.763 ' ND2' ' H ' ' A' ' 96' ' ' ARG . 93.8 m-20 -90.49 -177.57 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.452 ' HG2' HD11 ' A' ' 14' ' ' LEU . 17.1 mtm180 -129.68 100.8 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.582 HG12 HG22 ' A' ' 84' ' ' VAL . 9.6 mt -101.12 117.04 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.927 HG12 HG22 ' A' ' 108' ' ' VAL . 25.1 mt -108.19 109.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.525 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.8 mtt -108.57 140.01 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' ' 53' ' ' ILE . . . 80.46 -105.01 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.72 -67.32 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -122.55 46.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.623 ' CD2' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.63 79.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.927 HG22 HG12 ' A' ' 102' ' ' ILE . 4.2 t -83.3 150.55 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 56.8 m-85 -155.75 127.2 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.65 HH12 HD13 ' A' ' 14' ' ' LEU . 5.3 ttp-105 -97.39 134.83 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 76.2 t80 -79.85 152.83 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -135.07 162.44 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.438 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 4.4 t-80 -168.34 80.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.64 16.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.54 -56.26 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' HB3' ' ND1' ' A' ' 113' ' ' HIS . 0.4 OUTLIER -66.89 -42.2 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.6 -13.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.05 -49.17 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -41.42 -57.72 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -47.04 -32.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.51 -44.38 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -49.17 -51.61 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 124' ' ' THR . 1.4 p -62.69 -36.81 84.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.7 t -137.92 108.98 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.43 -168.16 41.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.46 21.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 m -118.42 130.77 56.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.7 p -127.1 116.66 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -118.95 118.69 32.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 t -162.42 146.85 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.56 -175.99 14.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -137.08 128.26 27.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -113.63 171.52 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.93 -102.44 2.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 57.64 154.18 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.176 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB3' HG21 ' A' ' 72' ' ' VAL . 53.6 Cg_endo -69.78 97.14 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.6 p-80 -118.35 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 111' ' ' PHE . 2.0 mt -98.33 130.12 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.53 156.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 35.6 t-20 -93.87 101.74 13.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 110' ' ' ARG . 1.4 pt? -115.96 9.7 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -45.03 170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 14.1 pt-20 -78.14 9.34 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -107.34 81.0 0.95 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.566 0.698 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 54.2 Cg_endo -69.7 0.17 5.99 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.9 -9.29 15.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.415 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -37.76 119.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -90.4 15.86 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -94.56 -163.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.5 143.63 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.12 -38.11 61.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.32 -179.79 6.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.997 ' N ' HD12 ' A' ' 25' ' ' LEU . 52.5 m-85 -143.12 123.43 13.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.91 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.1 m-85 -92.33 138.53 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.85 127.34 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.96 -172.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -102.09 79.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.671 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 170.54 -122.46 0.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.7 mp -114.77 134.24 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.2 m -128.1 104.44 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -80.31 110.58 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.29 142.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.17 -132.78 2.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -101.08 169.92 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -87.86 -24.25 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -75.82 -23.14 55.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -37.86 135.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.0 mt-10 -37.75 -36.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.7 mtm180 -114.44 109.98 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ARG . 49.8 ttt180 -36.41 118.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -88.5 133.03 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.9 t70 -47.6 -66.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' CD2' ' A' ' 48' ' ' LEU . 33.4 mt -101.94 119.1 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ALA . 49.2 t -99.91 119.95 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 109' ' ' PHE . 2.9 mm? -90.09 161.13 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -91.63 -175.12 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 159.15 7.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.24 13.05 34.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -99.33 12.66 35.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 107' ' ' HIS . 3.6 mm -100.78 165.35 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' H ' HG22 ' A' ' 53' ' ' ILE . 38.0 mmtt -114.64 137.41 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' LYS . 3.9 mp0 -34.58 -46.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' HIS . 20.4 mt-10 -119.72 49.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.9 t60 -34.63 -69.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 82' ' ' THR . 30.7 m -148.95 -176.87 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 60' ' ' PHE . 17.4 mt -140.35 154.38 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 74' ' ' LEU . 44.7 m-85 -123.82 110.35 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -99.87 104.95 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 72' ' ' VAL . 58.7 m -112.35 103.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.5 173.75 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 1.1 ttp-105 -80.46 108.57 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -49.62 178.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.13 -21.14 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 m -90.44 -1.93 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 92.42 0.21 70.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 71' ' ' ILE . 4.0 pt-20 -93.72 124.6 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.91 113.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 69' ' ' GLU . 49.4 mm -114.72 154.53 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 62' ' ' SER . 67.4 t -124.63 133.42 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.519 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -128.64 135.27 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.939 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.5 tp -93.92 120.8 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -108.19 80.96 1.18 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 155.31 66.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.93 -174.56 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -84.95 126.06 33.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 64.03 39.03 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' THR . 2.0 p -100.29 126.34 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.58 75.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -129.3 141.76 51.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -145.95 126.77 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.719 HG22 HG13 ' A' ' 101' ' ' ILE . 24.9 t -116.6 129.77 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 63.19 26.38 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.9 -28.03 10.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.18 161.73 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -71.82 165.28 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.4 p -145.58 108.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 t -120.24 -7.92 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.518 ' HG2' HG13 ' A' ' 93' ' ' VAL . 1.9 pt20 -117.83 155.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.519 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -121.4 153.67 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' NE2' HG21 ' A' ' 71' ' ' ILE . 50.1 mt-30 -70.54 134.99 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.0 mm? -74.85 148.83 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 2.9 tpm_? -99.24 121.31 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.94 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 134.5 4.6 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.494 HD21 HD11 ' A' ' 101' ' ' ILE . 3.1 p30 -80.37 -174.09 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 14' ' ' LEU . 57.7 mtp180 -136.38 108.33 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.719 HG13 HG22 ' A' ' 84' ' ' VAL . 4.9 mp -93.82 120.74 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.663 HG12 HG22 ' A' ' 108' ' ' VAL . 26.3 mt -106.77 118.84 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.488 ' HG2' HG23 ' A' ' 82' ' ' THR . 4.8 mtt -124.32 103.53 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.54 -99.58 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -130.57 -73.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -114.87 21.18 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' N ' ' ND1' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -86.26 78.59 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.663 HG22 HG12 ' A' ' 102' ' ' ILE . 1.5 t -102.54 140.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 48' ' ' LEU . 74.7 m-85 -135.79 142.49 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.683 ' CB ' HD22 ' A' ' 14' ' ' LEU . 28.8 ttm-85 -96.65 129.01 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.44 ' HD1' HD23 ' A' ' 11' ' ' LEU . 8.8 t80 -80.99 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -124.52 103.11 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -111.73 74.26 1.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.93 15.51 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.26 -56.82 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -9.7 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -85.21 -30.75 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.73 -6.65 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.33 -23.99 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.67 -29.56 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 123' ' ' LYS . 17.6 pt-20 -60.59 -17.8 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.1 OUTLIER -34.01 150.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 89.5 m -43.36 128.03 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -92.99 49.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.71 -91.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 170.55 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.5 t 50.35 49.93 19.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 89.5 p -99.86 120.37 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -80.5 111.26 16.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -152.61 129.25 10.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.16 89.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -126.86 108.84 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -161.65 111.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.32 79.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.69 146.83 32.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.54 9.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' HB2' HD13 ' A' ' 25' ' ' LEU . 7.9 p-80 -140.36 147.82 40.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 ' CE2' ' A' ' 60' ' ' PHE . 62.6 mt -98.5 127.33 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.18 136.27 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 37.8 t-20 -83.97 77.2 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.59 6.71 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -46.63 172.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -96.9 17.66 16.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -108.51 80.2 1.14 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 0.37 5.74 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mt -114.13 -5.08 13.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.53 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -42.4 125.23 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -78.76 6.56 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -97.04 167.19 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 75.6 m -51.48 148.37 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD13 ' CE ' ' A' ' 20' ' ' MET . 3.1 mm? -76.05 -43.85 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.7 161.35 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.701 ' N ' HD12 ' A' ' 25' ' ' LEU . 23.8 m-85 -122.43 124.21 43.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 25' ' ' LEU . 8.8 m-85 -88.07 93.07 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.7 mt -53.11 158.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.3 mttp -104.9 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.73 78.35 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.36 -106.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 4.2 mm -131.89 130.92 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.5 m -134.1 102.83 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -76.53 140.66 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD21 ' A' ' 48' ' ' LEU . 2.8 t -118.14 109.33 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.46 -118.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.764 ' HA ' HG13 ' A' ' 47' ' ' VAL . 44.7 mm-40 -115.21 -178.52 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.91 -20.38 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' CD ' ' A' ' 55' ' ' GLU . . . -38.45 142.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -38.96 -36.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -113.36 139.91 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 29.6 ttp180 -65.68 110.73 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' CA ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -91.94 139.69 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.696 ' HB3' HG23 ' A' ' 33' ' ' THR . 17.9 t70 -64.58 -58.63 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.8 116.89 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.764 HG13 ' HA ' ' A' ' 37' ' ' GLN . 58.3 t -105.46 114.47 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -83.6 154.55 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 t -58.77 163.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.74 64.95 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.98 76.52 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.346 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 53.89 42.07 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 54' ' ' LYS . 4.6 mm -103.74 158.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 53' ' ' ILE . 20.3 mmtt -107.23 151.36 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 36.1 mt-10 -53.77 -30.65 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.3 mt-10 -131.71 44.59 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.6 t60 -34.98 -70.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 p -142.84 178.96 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -140.08 153.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.693 ' CE2' HD11 ' A' ' 11' ' ' LEU . 30.2 m-85 -123.47 112.41 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 23.4 ttp180 -105.77 114.83 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 t -113.46 101.62 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.41 147.67 51.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -80.89 104.26 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 t -42.14 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -20.14 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -15.28 49.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.86 9.35 46.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.23 125.43 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 89.9 t -63.71 131.18 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 7.7 mm -130.68 129.57 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.631 HG12 HD23 ' A' ' 95' ' ' LEU . 64.4 t -106.69 129.35 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.458 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -124.25 137.0 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.894 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 tp -97.77 117.47 32.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -109.16 80.71 1.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.923 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.71 175.85 7.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.88 -179.23 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -89.47 -35.35 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -97.73 36.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m -127.19 159.3 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -111.83 88.39 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.84 156.24 29.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 88.8 m-85 -153.18 117.68 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 101' ' ' ILE . 12.7 t -113.71 132.8 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.1 m120 60.88 33.45 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.95 -23.91 4.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -90.36 -174.68 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HE ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.63 143.62 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.5 p -126.6 109.49 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -121.19 8.34 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 8.8 mm-40 -136.89 160.6 65.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.7 Cg_endo -69.8 96.73 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -126.3 150.54 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 73' ' ' THR . 29.0 mt-30 -62.24 145.85 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mm? -87.17 146.64 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.451 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -99.12 119.42 37.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.99 87.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 129.78 12.01 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.507 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.1 p30 -87.38 150.34 23.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.612 ' HG2' HD11 ' A' ' 102' ' ' ILE . 7.2 ttm180 -93.24 101.69 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 84' ' ' VAL . 18.0 mt -90.21 121.28 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 100' ' ' ARG . 3.8 mp -118.62 138.62 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.158 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 11.3 mtt -132.92 148.25 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.09 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' MET . 0.4 OUTLIER -154.37 142.35 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.5 t30 47.88 34.7 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -130.82 65.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.598 HG13 HG13 ' A' ' 102' ' ' ILE . 4.0 t -93.15 156.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 36.4 m-85 -158.07 143.42 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.856 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.0 ttp-105 -107.57 130.24 54.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 23.1 t80 -82.81 140.37 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -124.12 119.0 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.4 t-80 -133.85 74.78 68.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.78 3.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -93.51 -58.46 2.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.43 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.74 -18.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -66.88 -38.44 86.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.84 -7.02 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.99 -41.01 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -68.18 -23.12 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -84.49 21.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -109.39 -46.49 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 m -102.62 108.72 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -175.95 128.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.18 166.39 31.52 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 t -148.12 -178.08 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 130' ' ' GLY . 1.5 m -101.39 156.54 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -128.0 21.06 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -73.06 67.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.17 98.96 0.43 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -166.87 110.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -137.18 120.48 16.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.35 133.83 16.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.5 m -141.19 139.16 18.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.72 124.83 11.49 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 24.8 p-80 -141.3 166.97 23.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -120.31 129.73 54.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.98 158.65 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' OD1' ' ND2' ' A' ' 15' ' ' ASN . 5.7 t30 -102.56 95.6 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.4 pt? -104.64 7.03 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' ND2' ' OD1' ' A' ' 13' ' ' ASN . 65.2 m-20 -45.95 171.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 5.0 mm-40 -84.11 22.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.38 81.38 1.04 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.8 Cg_endo -69.73 1.68 4.2 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.698 2.266 . . . . 0.0 112.377 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' MET . 14.6 mt -104.1 -17.78 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.1 tmm? -34.35 123.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.4 t -109.01 -10.54 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -173.64 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 96.1 m -47.78 125.2 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.58 ' N ' HD22 ' A' ' 24' ' ' LEU . 2.2 mm? -72.08 -38.37 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.48 161.79 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.63 ' N ' HD12 ' A' ' 25' ' ' LEU . 31.6 m-85 -128.72 131.06 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 25' ' ' LEU . 35.0 m-85 -91.74 119.27 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.93 120.43 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 164.54 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.24 73.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.34 -124.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' A' ' 59' ' ' ILE . 3.6 mp -129.8 102.72 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 33' ' ' THR . 1.6 m -97.07 99.52 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -74.18 136.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.901 HG12 HD21 ' A' ' 48' ' ' LEU . 5.1 t -106.18 109.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.4 -133.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -109.93 175.46 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.66 -22.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -90.7 -10.71 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.34 160.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.24 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' GLN . 18.2 mmt85 -97.41 108.3 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . 5.4 ttp-105 -34.98 93.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ARG . 36.5 mm-40 -62.97 165.73 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.79 -51.62 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 46' ' ' ILE . 6.5 mt -108.2 107.81 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 38' ' ' ALA . 21.4 t -92.54 106.22 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.901 HD21 HG12 ' A' ' 35' ' ' VAL . 1.6 mm? -69.21 173.73 5.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.47 138.95 54.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.82 -109.57 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.64 170.69 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.8 m80 58.23 33.8 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.702 HD11 ' ND1' ' A' ' 107' ' ' HIS . 18.3 mm -104.41 93.55 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ILE . 1.7 mmmp? -38.26 129.79 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.95 -32.3 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.5 mt-10 -127.8 37.34 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CE1' ' HG1' ' A' ' 82' ' ' THR . 14.1 t-80 -34.52 -69.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.5 p -145.27 -179.25 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 60' ' ' PHE . 24.4 mt -140.23 159.45 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.506 ' N ' HG22 ' A' ' 59' ' ' ILE . 17.7 m-85 -123.7 107.45 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -99.92 112.14 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -110.41 91.0 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -117.15 142.84 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 3.4 ttm105 -80.34 108.26 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -47.55 167.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.87 -12.67 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -88.01 -18.78 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 104.38 10.58 33.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.28 132.09 49.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -74.57 110.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.8 mm -104.67 132.72 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 95' ' ' LEU . 63.4 t -109.05 132.91 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -128.6 145.7 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD21 ' A' ' 95' ' ' LEU . 11.1 tp -100.61 121.23 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.49 81.1 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.97 179.98 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.5 -44.04 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -100.13 34.0 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.1 p -112.65 118.71 35.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.48 70.64 7.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.435 ' HG1' ' CE1' ' A' ' 57' ' ' HIS . 2.2 m -101.76 146.43 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 64.3 m-85 -147.5 113.69 5.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.751 HG22 HG12 ' A' ' 101' ' ' ILE . 14.5 t -102.17 135.07 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 55.08 23.41 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.07 66.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.1 143.73 51.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -63.94 135.21 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.0 p -128.39 114.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.7 p -120.66 -14.8 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 7.7 mm100 -112.22 161.0 28.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.4 Cg_endo -69.82 97.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.469 ' C ' HG23 ' A' ' 73' ' ' THR . 31.8 m -122.15 150.15 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.8 144.16 57.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.2 mm? -88.1 147.88 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -103.63 120.41 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 101.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 115.82 9.66 12.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.615 ' OD1' HG13 ' A' ' 84' ' ' VAL . 2.1 p30 -82.55 162.34 22.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.03 107.18 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.751 HG12 HG22 ' A' ' 84' ' ' VAL . 6.2 mt -98.08 117.9 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.904 HG12 HG22 ' A' ' 108' ' ' VAL . 10.6 mt -109.26 101.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.7 ' SD ' HG11 ' A' ' 35' ' ' VAL . 6.1 mtm -104.67 103.49 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.62 -103.64 3.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.522 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 24.7 mmtp -151.78 129.97 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.01 29.58 14.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.702 ' ND1' HD11 ' A' ' 53' ' ' ILE . 29.4 m80 -115.86 51.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.904 HG22 HG12 ' A' ' 102' ' ' ILE . 2.8 t -84.91 123.44 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -117.97 153.31 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.909 ' HB2' HD22 ' A' ' 14' ' ' LEU . 13.1 ttt-85 -105.14 115.72 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' GLY . 14.8 t80 -79.87 118.47 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.573 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 6.8 m-20 -116.07 115.32 25.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.37 80.82 69.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.88 21.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.67 -40.24 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -85.24 -44.19 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.32 -30.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -39.53 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.23 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -69.21 -39.6 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.81 -14.06 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -83.22 -47.14 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 171.69 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 t -169.53 152.07 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 t -159.8 -175.92 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.08 77.56 0.79 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.83 26.3 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 130' ' ' GLY . 39.7 t -135.38 128.84 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m 39.92 25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -50.4 -58.85 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 m -156.97 158.8 37.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.97 -76.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p 38.43 32.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -118.66 153.47 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.78 134.71 3.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.74 147.85 67.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.03 52.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' CD2' HD13 ' A' ' 25' ' ' LEU . 46.5 p-80 -158.49 153.71 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 46' ' ' ILE . 46.3 mt -104.08 125.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.95 142.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -87.25 73.73 9.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.786 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -73.93 3.44 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.3 166.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.1 pt-20 -96.58 -31.0 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.8 m-20 -32.6 96.03 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.4 Cg_endo -69.81 2.74 3.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.0 mt -111.24 -9.53 14.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.571 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -35.22 123.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -109.49 -9.24 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -80.85 166.91 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 t -49.6 142.26 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 ' CE ' ' A' ' 20' ' ' MET . 3.3 mm? -61.1 -34.71 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.911 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.23 175.62 10.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.911 ' N ' HD12 ' A' ' 25' ' ' LEU . 45.8 m-85 -137.73 125.67 22.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.83 137.77 32.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -113.84 117.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.78 176.57 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.4 101.29 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.74 -118.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' C ' ' HZ1' ' A' ' 29' ' ' LYS . 3.6 mp -129.04 106.29 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.599 ' O ' HG22 ' A' ' 33' ' ' THR . 1.3 m -91.76 100.94 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -79.74 116.93 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 48' ' ' LEU . 23.3 t -89.78 129.95 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.13 -140.0 4.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 21.9 mm-40 -102.27 164.99 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.747 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -81.12 -13.89 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ALA . 39.8 m-20 -82.39 -30.53 30.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.82 147.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' ALA . 2.6 pt-20 -34.54 -47.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -107.1 159.76 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -70.43 90.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 83.2 mm-40 -48.46 116.23 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' CB ' HG23 ' A' ' 33' ' ' THR . 2.5 m-20 -42.64 -31.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' CG2' HD11 ' A' ' 48' ' ' LEU . 29.3 mt -131.46 128.42 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' ' 38' ' ' ALA . 87.8 t -115.05 107.14 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -87.28 174.42 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -100.53 -179.06 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.53 139.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.62 8.46 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -89.75 15.17 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 54' ' ' LYS . 18.4 mm -107.32 162.46 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' N ' HG22 ' A' ' 53' ' ' ILE . 18.5 mmtp -114.64 142.76 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -48.99 -29.71 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.3 mm-40 -131.9 39.84 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t60 -36.53 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.4 p -139.48 -179.12 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 10.2 mt -144.04 161.75 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 24.9 m-85 -131.89 125.43 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -113.46 120.93 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -114.49 111.58 21.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -143.49 153.17 42.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -84.21 128.64 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -69.6 166.29 19.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -54.7 -23.04 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 t -77.15 -28.54 54.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.63 23.93 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 pt-20 -114.99 121.67 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 74.6 t -60.42 109.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.68 150.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG12 HD23 ' A' ' 95' ' ' LEU . 65.8 t -119.85 140.62 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -131.86 135.16 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.972 ' HB2' HD21 ' A' ' 95' ' ' LEU . 5.3 tp -94.66 126.59 40.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -111.34 80.17 2.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.908 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 154.61 67.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.06 179.86 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.71 4.75 30.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -118.78 11.0 12.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.62 -174.91 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.9 tp10 -128.07 100.46 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 1.7 m -119.99 149.74 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 84.5 m-85 -148.65 129.06 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.522 HG22 HG23 ' A' ' 101' ' ' ILE . 85.5 t -127.64 136.56 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.67 25.23 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.94 0.77 90.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -119.25 170.95 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.765 0.317 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -78.38 151.13 32.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 76' ' ' PRO . 11.1 p -134.07 98.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -111.46 -11.86 14.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.8 pt20 -113.94 155.68 44.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.696 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 99.0 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 91' ' ' GLN . 34.5 m -120.87 157.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.8 142.79 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.972 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -87.32 176.33 7.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 1.8 mmp_? -140.94 157.66 45.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.87 114.18 20.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.31 0.6 40.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 96' ' ' ARG . 0.6 OUTLIER -78.02 155.44 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -100.99 125.37 47.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 84' ' ' VAL . 7.5 mt -123.27 119.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.685 HG13 HG22 ' A' ' 108' ' ' VAL . 2.9 mp -108.87 136.2 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 mtt -132.47 105.78 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.12 -101.62 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 18.1 mmtp -118.83 -71.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -125.7 18.33 8.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CE1' ' A' ' 109' ' ' PHE . 1.7 m80 -79.37 75.77 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.685 HG22 HG13 ' A' ' 102' ' ' ILE . 1.7 t -87.73 147.71 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 107' ' ' HIS . 23.7 m-85 -144.0 147.82 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.747 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.3 ttm180 -105.51 125.22 50.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.469 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 86.3 t80 -86.18 132.13 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -123.34 124.7 43.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 9.6 t-80 -107.53 78.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.588 ' OE1' ' CD2' ' A' ' 113' ' ' HIS . 6.5 mp0 -82.58 -59.4 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.63 -38.26 29.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.81 -8.89 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -81.19 -31.12 34.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.48 -19.83 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.02 -13.97 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -99.7 -41.04 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' LYS . 10.6 pt-20 -66.3 -51.3 58.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLU . 2.2 ptmm? 34.42 39.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 m -171.35 127.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.4 m -55.08 162.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -143.49 160.95 27.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.73 44.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.9 p -100.14 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.4 m -71.84 107.08 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -94.73 -37.21 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -43.9 131.83 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.58 78.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -130.11 74.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -40.68 -55.39 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.46 162.61 11.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.06 146.5 3.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.06 15.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.266 . . . . 0.0 112.346 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 35.4 p-80 -150.47 155.5 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 60' ' ' PHE . 28.5 mt -104.72 136.87 43.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.57 148.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.27 83.57 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -88.77 1.34 55.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -59.94 177.26 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ASP . 3.6 pt-20 -100.85 -12.65 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.4 m-20 -32.61 96.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.724 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.4 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.82 12.13 7.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptm -55.51 105.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -98.51 -9.53 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt-10 -79.78 150.67 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' GLU . 8.2 t -34.46 140.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.88 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.56 164.37 32.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.7 m-85 -135.55 124.29 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.68 130.58 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.8 mt -103.01 122.29 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -80.9 176.23 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.09 83.09 8.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -122.43 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 3.0 mm -128.47 113.02 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 45' ' ' ASP . 96.0 m -111.72 98.24 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HA ' HG23 ' A' ' 59' ' ' ILE . 69.6 mtt180 -67.85 146.75 53.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG21 ' CE2' ' A' ' 60' ' ' PHE . 2.1 t -126.76 117.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.571 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 176.1 -136.31 3.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -100.7 153.32 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.56 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ALA . 25.2 t70 -66.06 -29.51 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.18 147.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 mm-40 -37.07 -57.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 6.0 tpp85 -99.68 130.07 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.9 ttm105 -50.3 135.59 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 4.9 mm100 -110.95 143.32 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.497 ' CB ' HG23 ' A' ' 33' ' ' THR . 27.1 t0 -63.72 -57.62 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.866 ' CG2' HD11 ' A' ' 48' ' ' LEU . 12.3 mt -96.4 125.36 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.584 ' C ' HD13 ' A' ' 48' ' ' LEU . 6.6 t -103.83 128.85 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.866 HD11 ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.65 103.7 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -126.06 131.86 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.0 -8.01 1.93 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . . . -164.73 -177.36 4.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.35 111.73 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 107' ' ' HIS . 6.7 mm -146.22 135.05 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' GLU . 15.2 mmtt -91.9 133.8 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' LYS . 39.6 mt-10 -34.5 -44.11 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.5 mm-40 -120.4 49.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.9 t60 -34.67 -69.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 74' ' ' LEU . 27.6 p -148.37 -178.71 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.2 mt -139.86 152.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.4 m-85 -114.94 107.82 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -100.14 135.8 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -129.86 121.43 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -146.44 139.17 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 64' ' ' ARG . 2.9 ttm105 -81.24 116.73 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 t -54.27 160.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.26 -26.83 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -27.1 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.89 21.27 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.5 128.07 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.62 111.44 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.0 mm -110.73 143.61 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 111' ' ' PHE . 22.9 t -116.06 149.9 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -142.59 132.63 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.953 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.6 tp -96.43 129.76 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -112.15 79.92 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.694 0.759 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.894 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 167.67 23.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.38 138.78 37.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -22.55 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.96 36.48 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -127.76 105.76 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.23 99.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -137.97 134.77 35.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 84.2 m-85 -138.17 132.07 31.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.726 HG13 ' OD1' ' A' ' 99' ' ' ASN . 23.1 t -130.78 141.37 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 62.9 31.6 16.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.62 83.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -128.21 177.9 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 20.5 ttp85 -86.3 149.55 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.894 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -130.67 96.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -113.38 30.81 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.51 160.93 23.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.54 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.513 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -118.71 152.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 30.2 mt-30 -70.07 139.57 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.953 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mm? -83.65 170.58 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 96' ' ' ARG . 4.5 mmm180 -135.3 162.36 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.55 115.2 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.0 48.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.726 ' OD1' HG13 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -68.2 147.93 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.724 ' NE ' HD11 ' A' ' 102' ' ' ILE . 1.2 tmm_? -95.64 104.64 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 84' ' ' VAL . 6.9 mt -100.97 124.02 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 108' ' ' VAL . 21.6 mt -115.97 122.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.67 147.23 35.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.437 ' HA3' ' HD1' ' A' ' 107' ' ' HIS . . . 54.98 -104.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -130.81 -63.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -110.32 31.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.663 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 5.7 m80 -108.41 66.43 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 102' ' ' ILE . 67.4 t -84.51 153.41 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.498 ' C ' HD21 ' A' ' 14' ' ' LEU . 80.5 m-85 -156.4 148.02 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.716 ' HB2' HD22 ' A' ' 14' ' ' LEU . 31.3 ttt180 -117.32 117.69 30.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.646 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 58.6 t80 -79.59 123.16 27.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 23.3 m-20 -109.95 140.5 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 24.4 t-80 -139.34 80.6 22.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -20.1 35.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.468 ' O ' ' CD ' ' A' ' 118' ' ' ARG . 40.8 mt-10 -64.0 -53.99 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -77.97 -44.1 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.01 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 5.2 ptm180 -66.29 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.92 -51.23 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -62.64 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -57.94 -53.09 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -58.49 -45.68 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -44.95 141.92 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 93.1 m -83.18 -54.57 4.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -87.4 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.07 -82.17 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 75.77 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.1 t -142.3 166.81 23.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.5 p -163.98 165.71 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -152.35 173.12 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.15 121.69 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.82 43.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -79.32 165.66 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -96.34 29.78 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.64 101.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.7 m -114.25 139.21 23.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.0 Cg_endo -69.8 131.99 22.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.27 154.37 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.32 117.02 32.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.75 133.34 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -78.96 125.5 29.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -125.73 12.69 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -51.46 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 pt-20 -101.43 9.8 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 81.26 1.01 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.801 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.8 Cg_endo -69.77 -4.94 15.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 2.5 mt -95.75 -17.64 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -34.35 124.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -87.19 26.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -117.23 170.92 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.547 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 t -49.08 157.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -104.51 -19.35 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.61 157.45 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.944 ' N ' HD12 ' A' ' 25' ' ' LEU . 57.4 m-85 -135.17 138.2 43.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -88.69 144.26 26.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.06 110.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -54.71 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -104.24 78.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.01 -106.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mm -128.53 126.06 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 45' ' ' ASP . 97.6 m -121.39 104.4 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HA ' HG23 ' A' ' 59' ' ' ILE . 49.4 mtt180 -78.51 128.44 33.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.34 104.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.01 -148.76 5.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -87.19 162.64 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -77.67 -37.26 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.71 -14.43 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' CB ' HE21 ' A' ' 44' ' ' GLN . . . -40.31 141.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -37.79 -57.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' ARG . 10.8 tpp180 -97.6 111.34 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 tpt180 -34.52 132.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' A' ' 40' ' ' ALA . 9.3 mm-40 -106.75 164.42 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.7 t70 -85.14 -64.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' TYR . 6.4 mt -96.86 117.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 38' ' ' ALA . 40.6 t -99.94 111.57 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.1 mm? -76.04 156.16 34.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -43.71 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.37 -2.73 15.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ILE . . . -60.44 -175.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -48.48 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.682 HD11 ' HD2' ' A' ' 107' ' ' HIS . 30.3 mm -141.21 153.92 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.23 150.92 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.62 -30.0 62.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.5 mt-10 -129.51 41.58 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.6 t60 -36.69 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 59' ' ' ILE . 7.8 p -146.61 -175.11 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.2 mt -143.9 159.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 59' ' ' ILE . 32.7 m-85 -132.44 112.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -101.35 128.74 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.52 97.71 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -126.98 141.58 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -80.39 113.7 18.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -51.51 166.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -58.81 -18.49 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -80.57 -25.49 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.74 19.35 8.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -110.01 126.53 54.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 43.4 t -67.17 98.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.3 mm -95.83 152.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG12 HD23 ' A' ' 95' ' ' LEU . 96.9 t -125.8 131.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.534 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.1 m -122.79 138.48 54.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 95' ' ' LEU . 7.2 tp -96.0 126.33 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -114.39 80.74 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.69 172.07 13.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.658 2.238 . . . . 0.0 112.377 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.9 -179.28 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -86.96 -36.45 18.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -91.89 17.87 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -119.57 142.9 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -101.85 97.98 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -121.29 142.39 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 75.7 m-85 -137.66 111.71 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 101' ' ' ILE . 18.3 t -106.19 134.48 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m120 61.75 21.6 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.57 3.93 77.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' VAL . 8.0 ptpp? -125.11 156.91 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 1.4 ttm180 -73.45 132.95 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.617 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.1 p -110.17 114.25 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.6 m -122.11 21.91 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.538 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.0 pt20 -148.44 154.13 41.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.24 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 91' ' ' GLN . 16.9 m -115.73 159.54 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.8 99.75 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -38.33 148.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.456 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -108.31 120.86 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -36.33 114.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 95.2 10.81 56.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.515 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.8 p30 -78.52 130.92 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -82.25 111.21 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.585 HG12 HG22 ' A' ' 84' ' ' VAL . 7.0 mt -108.02 121.52 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 HG22 ' A' ' 108' ' ' VAL . 39.8 mt -109.05 119.38 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.8 mtm -120.03 99.49 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.35 -107.72 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -116.45 -67.07 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 m120 -124.49 8.36 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.682 ' HD2' HD11 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -72.24 91.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.757 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -113.09 146.05 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -139.37 155.53 47.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.636 ' HB2' HD22 ' A' ' 14' ' ' LEU . 2.4 tmm_? -106.04 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 37.1 t80 -79.39 107.09 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -93.44 111.66 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.482 ' CE1' ' H ' ' A' ' 116' ' ' GLN . 2.1 t-80 -113.55 77.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -28.24 25.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.72 -60.28 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.482 ' H ' ' CE1' ' A' ' 113' ' ' HIS . 56.7 tt0 -69.93 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 113' ' ' HIS . . . -54.7 -19.61 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 119' ' ' ALA . 3.1 ptm180 -77.03 -36.87 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' A' ' 118' ' ' ARG . . . -66.86 -30.01 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -48.52 -29.44 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -70.44 -33.61 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -88.66 -14.64 36.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -40.16 -34.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.3 t -43.63 167.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.0 p -57.54 168.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.85 66.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 p -99.91 -25.02 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.3 p -108.6 10.48 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.426 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -101.09 124.79 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -103.08 110.96 23.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.9 126.57 1.53 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -145.3 155.84 43.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -101.7 167.53 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.05 131.05 10.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.0 m -141.8 139.23 18.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.83 130.84 19.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -151.36 145.83 25.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 60' ' ' PHE . 51.8 mt -99.33 130.37 45.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.7 144.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -88.04 71.33 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.8 pt? -69.48 -1.32 8.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -49.81 163.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' ASP . 15.3 pt-20 -91.89 -18.81 23.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' GLU . 2.0 m-20 -32.61 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.1 Cg_endo -69.79 0.42 5.7 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.4 mt -126.39 8.67 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.445 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -36.25 122.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 m -112.42 6.63 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.97 -174.98 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 26.7 m -73.78 121.89 21.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD13 ' CE ' ' A' ' 20' ' ' MET . 1.5 mm? -35.39 -48.7 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.22 172.81 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.833 ' N ' HD12 ' A' ' 25' ' ' LEU . 44.2 m-85 -134.01 123.7 25.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -86.51 107.94 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -78.32 119.15 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' CD ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -75.45 173.65 10.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.31 83.9 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.638 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 179.44 -127.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 31' ' ' GLY . 2.1 mp -119.04 114.53 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.2 m -110.59 95.29 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' NH1' HG21 ' A' ' 32' ' ' ILE . 26.0 mtm-85 -71.52 133.7 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.844 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -112.08 127.13 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 170.17 -130.17 1.97 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -100.43 167.73 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.334 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -84.9 -26.15 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -87.41 -8.07 56.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.03 149.15 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -44.04 -56.08 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' GLN . 5.1 mmp_? -94.35 114.03 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' ARG . 34.8 ttp180 -37.28 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' ARG . 35.7 mm-40 -65.68 104.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.683 ' HB3' HG23 ' A' ' 33' ' ' THR . 7.7 t0 -34.98 -54.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -102.53 124.4 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 38' ' ' ALA . 20.3 t -107.84 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.844 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -71.81 160.73 32.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -137.88 107.25 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.52 -94.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.46 169.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.9 m80 53.81 34.69 19.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 107' ' ' HIS . 39.4 mm -97.32 150.61 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -116.17 142.96 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 22.4 mp0 -39.62 -35.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.91 54.36 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -41.17 -51.01 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.4 p -158.69 -176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 60' ' ' PHE . 45.1 mt -144.83 154.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.1 m-85 -127.8 108.88 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -105.03 119.94 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -109.59 99.57 8.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.07 134.91 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 13.6 ttm180 -80.42 107.4 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -46.89 168.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -59.76 -21.43 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 p -76.71 -16.51 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 97.31 21.25 20.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -113.82 134.22 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.2 t -72.82 118.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.36 122.7 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 HD23 ' A' ' 95' ' ' LEU . 78.0 t -100.17 127.72 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.24 136.23 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.841 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -97.25 121.65 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -109.43 79.7 1.35 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.858 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.81 169.17 19.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 t -109.68 148.48 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.18 -2.12 23.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -119.68 38.83 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 m -147.49 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -122.75 94.87 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -124.37 138.53 54.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -132.94 123.77 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.628 HG22 HG23 ' A' ' 101' ' ' ILE . 77.7 t -120.91 135.79 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.94 25.47 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.32 -3.64 85.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -114.08 -179.83 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -90.69 129.64 36.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 76' ' ' PRO . 10.6 p -104.81 91.02 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -105.91 16.47 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -147.65 154.77 44.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 101.75 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.86 168.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -88.98 132.36 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -74.41 157.34 35.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -108.92 139.94 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -53.41 93.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.8 17.22 11.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.59 HD21 HD11 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -77.24 136.97 38.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -83.77 114.94 21.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' VAL . 9.5 mt -114.13 113.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 108' ' ' VAL . 4.1 mp -101.06 152.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.485 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 22.8 mtt -144.17 149.96 37.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.499 ' HA3' ' CD2' ' A' ' 107' ' ' HIS . . . 64.18 -87.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -132.51 -66.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.7 m-20 -125.25 9.99 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.619 ' CD2' HD11 ' A' ' 53' ' ' ILE . 1.6 m-70 -68.1 80.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 102' ' ' ILE . 2.2 t -97.57 154.65 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.78 144.66 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.717 ' HB2' HD22 ' A' ' 14' ' ' LEU . 15.2 ttm180 -96.43 114.22 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.471 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 38.7 t80 -83.93 97.41 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -89.16 114.77 26.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 31.5 t-80 -119.57 79.16 21.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.79 3.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 35.5 mm-40 -78.79 -61.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.64 -46.18 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.96 -17.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -68.27 -32.92 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.58 -21.28 26.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.35 -44.29 84.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -45.61 86.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -71.85 -26.13 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -51.22 110.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.18 157.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 p -132.61 121.93 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.66 148.42 18.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.92 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.646 2.23 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.81 -50.33 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 t -125.49 136.05 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -115.1 139.39 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -64.92 -53.46 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.19 -92.94 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t 53.33 43.88 30.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.931 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -118.58 -60.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.7 135.39 32.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.9 m -135.36 139.2 30.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.571 0.7 . . . . 0.0 111.161 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.71 135.72 31.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -158.4 154.45 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.59 130.67 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 129.06 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -81.13 77.63 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.789 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.6 pt? -78.76 6.15 9.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.705 ' C ' HD21 ' A' ' 15' ' ' ASN . 0.1 OUTLIER -49.63 178.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -109.72 -19.36 13.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLU . 14.8 m-20 -32.74 96.05 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.612 0.72 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.3 Cg_endo -69.73 -6.22 18.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.08 21.52 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.438 ' HE1' HD13 ' A' ' 24' ' ' LEU . 1.4 ppp? -79.34 122.37 26.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -112.86 -7.63 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -80.34 163.76 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 9.0 t -39.07 154.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' HE1' ' A' ' 20' ' ' MET . 3.1 mm? -83.21 -29.68 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.02 168.33 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.796 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.8 m-85 -138.27 128.57 26.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 25' ' ' LEU . 21.5 m-85 -88.52 129.35 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.7 mt -92.39 125.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.68 165.18 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.94 109.99 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.662 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 149.91 -130.09 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.662 HD12 ' C ' ' A' ' 31' ' ' GLY . 3.4 mp -128.83 123.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 45' ' ' ASP . 24.3 m -110.11 98.7 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.12 124.72 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG12 HD21 ' A' ' 48' ' ' LEU . 5.5 t -106.92 102.12 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.8 -130.2 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HA ' HG13 ' A' ' 47' ' ' VAL . 48.5 mm-40 -102.73 170.57 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.42 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -92.84 -17.41 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.45 149.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -45.71 25.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' GLN . 9.8 ttm180 -101.07 116.69 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -43.71 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 9.3 mm100 -68.15 128.87 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' CB ' HG23 ' A' ' 33' ' ' THR . 6.2 m-20 -52.62 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.0 mt -97.65 137.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.508 ' C ' HD13 ' A' ' 48' ' ' LEU . 3.8 t -123.86 133.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.875 HD23 HG21 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -104.75 168.22 9.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -98.55 -178.96 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.0 -179.07 53.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.2 -1.3 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -82.28 1.2 37.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.875 HG21 HD23 ' A' ' 48' ' ' LEU . 4.4 mm -96.12 155.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -117.6 152.07 35.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 6.6 mp0 -49.22 -36.1 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.91 42.57 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 80' ' ' SER . 3.8 t-80 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 3.3 m -151.31 -177.16 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.1 mt -143.9 159.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.502 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 25.7 m-85 -130.79 110.13 11.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ttt-85 -101.35 124.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -112.61 105.68 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -133.99 142.8 47.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -82.55 115.31 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -53.29 164.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.64 -25.45 39.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -73.18 -27.14 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 20.83 7.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -110.96 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.76 116.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -117.79 147.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.635 HG12 HD23 ' A' ' 95' ' ' LEU . 37.8 t -120.62 135.69 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.2 m -123.53 133.3 54.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.4 tp -91.88 118.28 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.8 80.64 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.73 -176.53 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.84 178.77 4.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.07 -12.39 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -120.34 32.71 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.519 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 11.2 p -127.99 154.55 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.08 62.71 2.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.436 ' HB ' HG13 ' A' ' 89' ' ' VAL . 1.5 m -88.79 138.65 31.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -144.47 132.74 21.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' LYS . 30.5 t -120.85 147.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.48 30.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.85 -27.53 8.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' VAL . 49.8 pttt -87.04 170.61 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp85 -82.22 152.6 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.7 p -137.61 104.36 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 p -116.74 3.07 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 164.5 43.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.69 2.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' C ' HG23 ' A' ' 73' ' ' THR . 18.4 m -136.78 151.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.01 135.54 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -79.22 178.08 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.46 157.98 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -70.67 73.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.67 29.35 0.98 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 2.8 p30 -88.91 144.12 26.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 115.66 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.42 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -110.13 119.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 108' ' ' VAL . 23.2 mt -105.37 119.09 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.494 ' SD ' HG11 ' A' ' 35' ' ' VAL . 19.2 mtt -118.36 102.05 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.9 -120.53 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -67.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -127.46 62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -132.85 88.98 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 102' ' ' ILE . 8.7 t -96.17 158.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.424 ' N ' HG12 ' A' ' 108' ' ' VAL . 86.2 m-85 -144.6 143.33 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HB2' HD22 ' A' ' 14' ' ' LEU . 6.9 tpt180 -106.98 116.4 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -79.81 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -103.86 105.12 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 116' ' ' GLN . 33.5 t-80 -110.96 77.37 1.39 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -36.39 11.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.8 -44.27 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 48.0 tp60 -80.96 -47.02 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.45 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -68.98 -39.38 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.37 -28.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.53 -39.49 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -88.42 -34.62 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -75.03 4.33 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -76.09 -61.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.9 t -62.52 -18.03 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 p -84.28 147.28 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -125.31 170.18 17.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.14 25.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 p -109.93 147.46 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.8 m -163.44 170.72 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -121.76 11.23 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -138.39 138.13 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.22 177.7 15.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -117.86 98.78 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 p -145.3 144.64 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.57 142.92 16.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.7 m -146.99 139.15 13.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.525 0.679 . . . . 0.0 111.205 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.74 130.7 19.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 25' ' ' LEU . 54.4 p-80 -156.77 154.16 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 60' ' ' PHE . 48.0 mt -99.21 138.1 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.0 135.26 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -78.86 77.44 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.829 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.4 pt? -78.03 5.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 108' ' ' VAL . 48.3 m-20 -51.97 176.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 19.9 pt-20 -103.58 -26.46 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLU . 34.9 t0 -32.65 96.06 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.0 Cg_endo -69.82 2.65 3.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.334 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.26 -13.04 11.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.442 ' CE ' HD13 ' A' ' 24' ' ' LEU . 9.4 ptt? -39.26 121.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -116.33 -3.83 11.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.99 -178.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 3.7 m -59.48 120.76 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' CE ' ' A' ' 20' ' ' MET . 2.3 mm? -46.55 -47.78 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -143.32 162.27 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.625 ' N ' HD12 ' A' ' 25' ' ' LEU . 70.4 m-85 -126.46 128.73 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 10' ' ' HIS . 23.4 m-85 -90.61 119.86 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 33' ' ' THR . 28.8 mt -92.76 127.18 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' NZ ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.59 173.37 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.16 83.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.28 -127.19 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.487 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 3.2 mm -129.78 116.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.763 HG23 ' HB3' ' A' ' 45' ' ' ASP . 86.7 m -105.46 95.5 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH1' ' NE2' ' A' ' 44' ' ' GLN . 10.2 mtm105 -72.26 117.99 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.94 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -98.74 113.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.32 -126.49 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.51 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.49 -22.21 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.54 142.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ALA . 8.2 mm-40 -34.87 -57.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -93.27 142.8 26.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -62.82 106.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' NE2' ' NH1' ' A' ' 34' ' ' ARG . 66.3 mm-40 -75.65 135.99 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.763 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.9 t0 -62.21 -54.22 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG12 ' CD2' ' A' ' 26' ' ' TYR . 33.5 mt -105.39 123.58 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.31 132.1 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.94 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -103.32 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.09 158.58 20.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.808 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.85 169.25 24.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.19 -0.88 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 105' ' ' LYS . 64.0 m-70 -88.17 -14.7 37.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 107' ' ' HIS . 28.5 mm -67.94 154.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 53' ' ' ILE . 12.7 mmtp -118.65 154.68 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -58.02 -38.65 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.0 mt-10 -121.22 36.37 4.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 8.5 t60 -36.63 -68.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' C ' HG13 ' A' ' 59' ' ' ILE . 2.8 p -148.58 -175.25 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 60' ' ' PHE . 15.8 mt -149.86 165.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.545 ' N ' HG22 ' A' ' 59' ' ' ILE . 63.0 m-85 -138.08 106.88 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 46.9 ttt180 -102.39 114.39 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -103.57 110.58 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.09 140.43 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.15 109.59 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.0 t -49.71 171.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -63.48 -17.23 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -81.72 -14.91 55.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.8 15.11 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.4 131.78 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.42 108.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.03 148.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 95' ' ' LEU . 74.2 t -120.9 138.19 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.0 OUTLIER -120.65 135.66 55.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 HG21 ' A' ' 89' ' ' VAL . 15.9 tp -95.6 122.14 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -107.6 80.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.926 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.74 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.0 179.94 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.5 -10.74 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.78 36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 5.3 m -159.15 161.38 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' OE1' ' C ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -97.2 114.17 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -135.0 145.43 48.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -149.56 141.41 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.754 HG22 HG12 ' A' ' 101' ' ' ILE . 65.6 t -140.66 135.9 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 60.98 25.75 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.8 4.44 85.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -120.82 162.72 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -67.86 138.14 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.056 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -120.52 96.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -112.15 -22.84 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -106.27 154.98 39.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' C ' HG23 ' A' ' 73' ' ' THR . 35.6 m -115.49 156.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -85.07 107.16 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -46.48 171.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' ASN . 4.1 tpm_? -126.53 128.96 47.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ARG . 3.6 t -36.23 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.19 22.55 11.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.589 ' ND2' HD11 ' A' ' 101' ' ' ILE . 4.4 p-10 -72.64 134.44 45.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -89.14 109.21 20.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.754 HG12 HG22 ' A' ' 84' ' ' VAL . 15.7 mt -104.91 138.94 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mt -126.24 109.59 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 15.9 mtt -100.48 147.16 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.425 ' C ' ' HE2' ' A' ' 105' ' ' LYS . . . 47.8 -125.41 11.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -99.91 -75.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.29 45.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.454 ' CG ' HD11 ' A' ' 53' ' ' ILE . 7.6 m80 -117.05 60.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 101' ' ' ILE . 2.5 t -83.28 154.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.587 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 73.0 m-85 -152.26 139.74 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.552 ' HB2' HD22 ' A' ' 14' ' ' LEU . 24.0 ttt180 -107.72 118.93 38.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 81.0 t80 -79.93 101.78 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -86.45 131.26 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -141.18 80.52 16.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -44.04 2.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -41.62 -54.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -79.11 -48.09 14.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 120' ' ' GLU . . . -45.26 -22.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -61.17 -41.79 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.95 -7.64 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.3 pt-20 -40.27 -40.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -33.71 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.36 16.07 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -83.22 145.78 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -44.48 167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.4 p -159.81 111.29 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.02 158.21 11.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.83 36.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.7 m -117.78 54.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.4 p -107.64 111.56 23.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -125.08 34.95 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -93.27 18.17 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.6 112.81 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -146.7 117.7 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -56.39 123.91 16.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.22 127.99 2.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -140.26 139.17 20.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 111.163 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 12.5 p-80 -139.15 153.92 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -98.68 132.28 44.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -112.04 138.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.2 75.76 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -77.57 -1.44 30.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -62.53 -175.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 mp0 -118.09 -15.8 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLU . 27.7 m-20 -32.67 96.03 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 54.0 Cg_endo -69.72 -2.63 10.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.4 mt -105.32 -23.22 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HE1' HD13 ' A' ' 24' ' ' LEU . 2.8 ptm -36.06 120.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 p -109.12 6.77 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -93.8 155.69 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 86.1 m -39.83 160.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD13 ' HE1' ' A' ' 20' ' ' MET . 4.2 mm? -76.93 -36.05 56.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.33 162.52 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.636 ' N ' HD12 ' A' ' 25' ' ' LEU . 54.0 m-85 -136.18 135.39 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 25' ' ' LEU . 43.3 m-85 -92.75 134.02 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.7 mt -99.46 130.9 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -83.91 172.1 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.88 99.09 8.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.63 -122.71 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mm -128.22 122.81 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.7 m -111.73 104.46 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -80.55 107.76 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.848 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -89.89 121.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.08 -130.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -110.16 170.69 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -86.36 -24.36 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -59.91 -34.62 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.74 143.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.01 -41.62 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' ARG . 38.8 mmm-85 -113.26 115.39 28.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.0 tpt180 -34.94 127.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -90.75 136.78 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.789 ' HB3' HG23 ' A' ' 33' ' ' THR . 2.6 t70 -42.96 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mt -100.98 118.72 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 38' ' ' ALA . 6.6 t -105.8 115.09 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.848 HD21 HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -84.99 165.36 17.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.3 m -119.53 98.07 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.12 -171.54 27.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.18 6.46 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.489 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -122.67 0.68 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.11 151.29 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -119.61 143.88 47.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.784 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -39.45 -42.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.9 mm-40 -119.82 44.19 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.3 t60 -36.81 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.7 p -142.64 -179.92 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 60' ' ' PHE . 11.0 mt -144.47 160.54 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 79.9 m-85 -136.18 117.96 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -99.9 105.34 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -104.61 90.99 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -126.25 146.75 49.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 15.0 ttm180 -80.27 104.24 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.6 t -41.71 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -53.35 -32.11 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -69.33 -24.19 63.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 107.51 16.01 14.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -108.0 126.95 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.76 132.61 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' ' CD ' ' A' ' 94' ' ' GLN . 6.6 mm -131.27 133.86 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 95' ' ' LEU . 41.6 t -117.27 111.79 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -110.48 125.94 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.915 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.0 tp -82.98 115.91 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.7 80.85 1.03 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.821 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.84 -175.99 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.33 178.94 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CG ' ' HG2' ' A' ' 79' ' ' ARG . 14.3 pt-20 -87.18 -40.63 14.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 78' ' ' GLU . 19.3 mmt85 -89.96 21.91 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -109.44 176.86 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 6.2 tt0 -123.38 54.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 1.3 m -91.96 148.35 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 60.8 m-85 -150.65 136.56 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 HG11 ' A' ' 89' ' ' VAL . 82.6 t -131.39 147.85 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 m120 56.13 30.16 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.49 2.66 69.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -117.73 174.59 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 10.1 tpt180 -80.07 143.79 33.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.821 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.5 p -132.18 104.15 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.1 t -107.1 -16.91 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -112.31 163.65 17.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.35 144.67 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.507 ' HA ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -80.01 109.39 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.5 mm? -48.34 151.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -115.15 132.59 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.0 t -43.67 107.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.43 38.08 5.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.58 ' OD1' HD12 ' A' ' 95' ' ' LEU . 2.8 p30 -109.79 141.85 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.664 ' NE ' HD11 ' A' ' 14' ' ' LEU . 6.8 mmt180 -89.63 133.42 34.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 mt -128.1 123.72 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 108' ' ' VAL . 53.7 mt -107.63 126.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.39 100.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.05 -101.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HD3' ' CD2' ' A' ' 52' ' ' HIS . 13.4 mmmt -120.8 -73.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 m120 -116.55 -0.47 12.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.42 ' CE1' ' H ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.81 78.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 102' ' ' ILE . 1.6 t -101.25 162.02 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 5.7 m-85 -158.83 161.6 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.808 ' HB2' HD22 ' A' ' 14' ' ' LEU . 52.4 ttm-85 -112.72 142.06 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.465 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 41.3 t80 -89.9 127.19 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.409 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.7 t-20 -109.72 128.06 55.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.438 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 7.3 t-80 -138.23 72.32 45.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -4.15 13.42 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.438 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 13.4 mt-10 -81.07 -49.11 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -83.41 -43.12 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.37 -18.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 119' ' ' ALA . 2.8 ptm180 -78.49 -36.46 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' A' ' 118' ' ' ARG . . . -75.92 -7.84 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 119' ' ' ALA . 10.2 pt-20 -36.78 -39.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.72 -41.29 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -50.95 -23.45 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -55.19 158.67 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.0 m -43.31 103.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -73.98 104.08 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.77 -172.87 30.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.01 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -133.15 107.07 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.5 p -102.9 -176.61 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 117.37 5.05 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 25' ' ' LEU . 24.3 p-80 -137.24 150.6 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 mt -98.54 135.5 39.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.58 143.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -83.94 106.72 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.4 pt? -113.84 7.12 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -48.32 173.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HG ' ' HE1' ' A' ' 26' ' ' TYR . 3.9 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.7 mm? -83.55 -38.45 21.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -145.06 174.5 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.896 ' N ' HD12 ' A' ' 25' ' ' LEU . 76.1 m-85 -144.52 121.66 11.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.813 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -81.13 131.34 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -92.61 126.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -85.24 -174.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -88.35 123.38 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.777 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 134.71 -135.87 8.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.777 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.3 mp -116.03 119.95 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.881 HG23 ' HB3' ' A' ' 45' ' ' ASP . 20.7 m -107.86 96.92 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' HA ' HG23 ' A' ' 59' ' ' ILE . 40.2 mtt180 -73.65 126.98 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG12 HD21 ' A' ' 48' ' ' LEU . 4.9 t -106.48 102.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 -138.22 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -104.15 166.1 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.57 -1.2 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.88 -20.6 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.65 143.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -38.69 -43.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -108.42 162.82 13.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -77.54 109.22 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -77.9 130.94 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 33' ' ' THR . 28.2 t0 -55.03 -40.22 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mt -124.38 136.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.21 137.11 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.726 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.719 0.295 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -102.1 157.23 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -123.69 153.71 40.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -53.52 -37.77 63.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -119.56 38.57 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -37.8 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.432 ' C ' HG13 ' A' ' 59' ' ' ILE . 23.5 p -149.24 -176.12 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 60' ' ' PHE . 13.3 mt -144.63 158.68 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' ILE . 16.9 m-85 -128.12 109.43 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -100.61 124.49 46.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 72' ' ' VAL . 15.4 m -121.46 107.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -137.86 145.35 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 17.0 ttm180 -80.31 104.13 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -41.06 158.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.77 -28.92 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -67.38 -29.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 112.0 17.9 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.428 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -110.92 139.42 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.59 116.17 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mm -117.83 151.04 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.481 HG22 ' OG ' ' A' ' 62' ' ' SER . 87.1 t -126.35 132.12 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -125.21 131.53 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.008 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.7 tp -89.35 124.31 34.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.73 80.59 2.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.679 0.752 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.865 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.83 -178.19 2.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -117.78 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -96.34 -14.15 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.79 31.47 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.6 p -133.57 149.51 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.57 99.16 11.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -128.65 135.51 49.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -132.02 133.76 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' GLY . 16.0 t -119.97 150.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 m120 40.01 25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . 101.57 -40.56 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.7 ptmt -82.56 -174.69 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -86.98 167.23 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 76' ' ' PRO . 9.4 p -146.4 108.62 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.8 t -118.94 -18.03 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -108.68 156.46 38.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 93.61 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.452 ' C ' HG23 ' A' ' 73' ' ' THR . 33.2 m -116.72 156.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -78.02 141.3 38.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mm? -88.53 153.6 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.25 171.62 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -82.66 105.08 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.88 3.29 32.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.599 ' OD1' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.55 145.32 52.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HG2' HG13 ' A' ' 108' ' ' VAL . 16.0 ttp180 -96.06 110.84 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 103' ' ' MET . 6.6 mt -109.25 114.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.532 ' CG1' HG22 ' A' ' 108' ' ' VAL . 1.8 mp -105.3 140.71 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.498 ' CE ' HG22 ' A' ' 101' ' ' ILE . 1.6 mpt? -130.5 99.38 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.29 -106.04 1.95 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -121.57 -69.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -121.35 56.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -125.35 76.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.532 HG22 ' CG1' ' A' ' 102' ' ' ILE . 7.4 t -84.0 161.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 33.2 m-85 -155.2 132.43 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 14' ' ' LEU . 32.5 ttt-85 -96.67 119.68 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 75.0 t80 -81.02 107.35 13.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -94.88 115.39 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -118.8 68.84 8.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 137.17 35.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.399 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.499 ' CD2' HD21 ' A' ' 112' ' ' ASN . 45.0 p-80 -159.47 158.11 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 4.1 mt -98.5 132.4 43.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 ' ND2' ' A' ' 112' ' ' ASN . 2.5 t -109.73 137.21 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 7.1 p-10 -72.02 66.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.2 pt? -70.74 0.07 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -55.29 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.832 0.348 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.84 -25.56 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -149.41 161.83 41.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.769 ' N ' HD12 ' A' ' 25' ' ' LEU . 46.7 m-85 -129.36 121.52 27.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 25' ' ' LEU . 22.8 m-85 -82.81 140.12 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.8 mt -111.48 154.87 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -130.73 -174.68 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.08 132.7 35.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -130.65 6.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 10.7 mm -123.34 118.01 53.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 45' ' ' ASP . 23.7 m -110.51 94.27 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -75.1 133.94 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 48' ' ' LEU . 4.6 t -111.89 94.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . -152.6 -128.92 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.564 ' HA ' HG13 ' A' ' 47' ' ' VAL . 17.7 mm-40 -116.11 175.31 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -1.6 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -98.36 -25.11 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -42.08 141.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -35.78 -55.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ARG . 5.3 mpt_? -105.5 121.99 45.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' ARG . 19.8 tpp180 -36.78 132.89 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -100.82 130.74 46.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.688 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.0 t70 -51.11 -51.31 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.8 mt -109.86 116.66 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG13 ' HA ' ' A' ' 37' ' ' GLN . 22.3 t -98.91 105.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 35' ' ' VAL . 1.1 mm? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.935 HD11 ' CD2' ' A' ' 107' ' ' HIS . 6.8 mm -105.2 104.16 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -54.07 138.57 37.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 3.4 pm0 -47.21 -28.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.04 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 6.9 t60 -43.86 -70.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 29.6 p -142.16 -176.07 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 22.8 mt -145.06 158.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 36.6 m-85 -131.59 108.43 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 16.0 ttt180 -100.55 136.12 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -131.38 108.94 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 23.7 tp10 -139.27 147.68 42.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 17.0 ttm180 -80.52 105.47 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 t -40.61 160.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.32 -19.79 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -78.82 -23.25 45.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.35 24.5 6.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG3' HD11 ' A' ' 71' ' ' ILE . 5.4 pt-20 -118.32 136.96 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.915 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.88 116.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' A' ' 69' ' ' GLU . 10.0 mm -118.69 154.78 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 95' ' ' LEU . 58.1 t -126.36 129.31 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 m -124.46 130.93 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.883 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -90.78 122.06 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.41 80.11 1.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.844 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 175.08 8.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.0 t -121.44 150.86 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -77.96 5.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -121.08 17.42 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.03 178.0 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.553 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.9 tt0 -116.75 79.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -103.04 148.53 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 84.6 m-85 -146.75 120.26 9.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 74' ' ' LEU . 44.2 t -122.18 137.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.493 HD22 HG12 ' A' ' 84' ' ' VAL . 2.4 m-80 61.4 32.8 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.41 1.77 66.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -120.38 176.36 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 6.8 tpt180 -86.83 139.55 30.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -123.09 107.76 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -110.98 -20.09 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -109.27 158.0 35.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.16 2.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.44 159.99 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -77.62 143.48 38.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.3 mm? -85.87 154.51 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.1 tpp180 -103.92 129.23 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 t -45.41 90.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 105.59 38.64 2.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 6.2 p30 -98.1 146.3 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.464 ' NH1' HG11 ' A' ' 108' ' ' VAL . 38.1 mtp85 -82.26 120.54 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.524 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.5 mt -120.66 122.21 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 108' ' ' VAL . 16.9 mt -111.65 134.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.524 ' SD ' HG22 ' A' ' 101' ' ' ILE . 1.1 mpt? -132.89 98.25 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' A' ' 53' ' ' ILE . . . 92.64 -115.73 4.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -132.16 131.9 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.4 41.45 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.935 ' CD2' HD11 ' A' ' 53' ' ' ILE . 21.5 m-70 -127.47 53.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -95.01 126.66 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.547 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -124.44 165.3 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.959 ' HB2' HD22 ' A' ' 14' ' ' LEU . 7.1 tpt180 -108.63 113.84 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 66.3 t80 -79.88 101.57 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.499 HD21 ' CD2' ' A' ' 10' ' ' HIS . 1.5 p30 -92.83 163.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -159.09 73.92 3.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.283 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.553 0.692 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.586 ' CD2' HD13 ' A' ' 25' ' ' LEU . 26.3 p-80 -151.73 158.93 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 60' ' ' PHE . 41.0 mt -105.73 126.88 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 112' ' ' ASN . 1.5 t -99.08 136.69 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -82.74 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.4 pt? -76.51 6.74 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 108' ' ' VAL . 1.0 OUTLIER -48.36 177.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.65 -38.37 90.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.858 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.59 174.17 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.858 ' N ' HD12 ' A' ' 25' ' ' LEU . 37.2 m-85 -134.84 121.51 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mt -80.9 120.49 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.94 175.58 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.88 94.13 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 171.78 -139.14 5.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.665 HD11 ' NH1' ' A' ' 61' ' ' ARG . 3.0 mp -120.21 103.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 45' ' ' ASP . 21.2 m -94.69 94.44 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 59' ' ' ILE . 91.2 mtt180 -64.01 145.06 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG21 ' CE2' ' A' ' 60' ' ' PHE . 5.3 t -118.47 108.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -144.48 4.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.63 161.12 13.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.92 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.66 -18.95 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -44.98 142.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ALA . 6.1 mt-10 -35.61 -58.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -179.72 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -97.37 100.69 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -76.52 123.75 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.819 ' HB3' HG23 ' A' ' 33' ' ' THR . 6.0 t0 -54.45 -49.78 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.41 121.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.82 124.74 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' ND1' ' NZ ' ' A' ' 105' ' ' LYS . 34.1 m170 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.749 0.309 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 11.1 mm -104.22 155.33 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.7 mptt -110.16 143.77 39.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -49.91 -38.26 35.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 77.1 mt-10 -128.17 39.77 3.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 7.6 t60 -34.97 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 26.5 p -142.65 179.63 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.8 mt -142.01 152.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 35' ' ' VAL . 51.3 m-85 -116.78 112.77 21.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.665 ' NH1' HD11 ' A' ' 32' ' ' ILE . 35.5 ttm-85 -106.51 122.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.5 p -108.23 106.53 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.44 134.21 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 9.2 ttm180 -80.38 105.18 11.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.7 t -40.67 153.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -48.27 -25.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.5 p -71.2 -34.8 71.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 119.64 16.66 4.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.402 ' CD ' HD11 ' A' ' 71' ' ' ILE . 5.8 pt-20 -109.55 134.29 52.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.7 116.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.9 mm -120.2 133.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 95' ' ' LEU . 53.2 t -107.02 137.95 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -125.38 136.05 53.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.912 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -94.57 123.48 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.13 80.68 1.92 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.674 0.749 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.804 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 155.89 64.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.07 167.03 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -5.43 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -125.91 23.43 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -124.57 168.69 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' HIS . 5.2 mp0 -111.61 103.95 12.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.599 HG21 HD21 ' A' ' 74' ' ' LEU . 6.2 m -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 88' ' ' ARG . 94.0 m-85 -129.44 122.29 29.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 101' ' ' ILE . 21.7 t -116.66 129.83 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 57.88 30.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.33 -32.65 5.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -84.2 175.75 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -95.62 132.33 40.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.804 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.1 p -110.39 117.89 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -123.13 -14.86 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -114.72 160.62 32.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 95.62 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -116.99 158.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -81.61 135.36 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -81.52 146.99 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 97' ' ' SER . 9.0 tpp180 -99.31 125.36 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 96' ' ' ARG . 40.2 t -36.15 99.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 96.46 42.98 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.929 HD21 HD11 ' A' ' 101' ' ' ILE . 4.5 p-10 -98.57 137.82 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.65 ' HG2' HG11 ' A' ' 108' ' ' VAL . 15.2 ttp180 -82.4 111.92 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.929 HD11 HD21 ' A' ' 99' ' ' ASN . 6.5 mt -116.25 124.79 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.823 HG12 HG22 ' A' ' 108' ' ' VAL . 17.4 mt -117.81 125.81 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' HG11 ' A' ' 35' ' ' VAL . 7.2 mtt -106.49 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.78 -74.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 18.7 mmtm -80.57 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 p-10 -78.17 9.53 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -63.81 74.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -90.99 135.1 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CB ' HD22 ' A' ' 11' ' ' LEU . 98.5 m-85 -121.8 151.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.9 ttp180 -100.78 122.42 43.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 38.0 t80 -79.52 97.78 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.554 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 2.7 m120 -84.82 136.16 33.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -150.01 72.57 9.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.9 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.72 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CD2' HD13 ' A' ' 25' ' ' LEU . 52.9 p-80 -140.01 150.52 44.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.24 136.01 44.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.36 139.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 16.5 t-20 -91.63 101.63 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.817 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.3 pt? -105.66 7.06 32.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -44.18 168.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 9.0 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.835 0.35 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 2.3 mm? -86.44 -32.99 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.42 161.91 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.0 m-85 -118.62 127.39 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.518 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.9 m-85 -95.12 98.93 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 29' ' ' LYS . 8.7 mt -66.57 160.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -127.99 -174.38 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 123.93 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.12 -137.91 9.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.0 114.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 45' ' ' ASP . 34.0 m -104.23 98.65 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -75.91 133.93 40.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.003 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -112.55 131.91 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.42 -134.92 2.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -99.27 168.58 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.96 37.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -83.55 -24.62 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -40.56 136.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ALA . 5.6 mm-40 -35.13 -58.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.8 mpt_? -91.49 107.79 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -37.99 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 50.0 mm-40 -67.61 123.95 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.799 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.5 t70 -49.04 -44.7 41.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.4 115.95 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.19 127.06 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.003 HD21 HG12 ' A' ' 35' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.1 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 mm -67.38 145.77 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.83 157.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -48.04 -43.74 30.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' HIS . 79.7 mt-10 -122.18 42.27 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.7 t60 -34.6 -68.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.4 p -143.02 178.57 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -139.94 153.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.43 108.64 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -100.74 136.47 40.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -125.1 108.11 11.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -134.34 144.22 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.908 ' NH1' HG23 ' A' ' 70' ' ' VAL . 16.5 ttm-85 -80.44 106.54 12.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.4 t -41.59 157.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -55.37 -18.74 7.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -79.68 -23.33 42.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 18.99 9.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.78 132.06 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.959 0.409 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' NH1' ' A' ' 64' ' ' ARG . 54.7 t -68.99 126.74 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.2 mm -129.92 153.67 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG12 HD23 ' A' ' 95' ' ' LEU . 83.5 t -122.64 140.33 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.56 138.88 52.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 89' ' ' VAL . 6.3 tp -97.47 116.46 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.2 79.83 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.661 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.81 175.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.2 t -113.18 154.31 26.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.76 -28.94 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -93.78 8.96 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -111.75 -177.91 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -134.08 113.31 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.525 HG21 HD21 ' A' ' 74' ' ' LEU . 7.3 m -138.72 150.33 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 97.9 m-85 -142.87 122.9 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.714 HG22 HG12 ' A' ' 101' ' ' ILE . 6.5 t -112.49 123.16 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.33 35.97 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.74 -38.81 3.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -71.45 -176.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -104.83 138.74 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 74' ' ' LEU . 12.5 p -117.01 105.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 t -117.7 -2.36 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -127.04 157.98 70.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.15 161.38 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -81.25 141.8 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.72 153.8 21.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' GLY . 1.8 tmm_? -106.98 122.09 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -42.25 94.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 112.04 35.47 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.3 p30 -107.5 144.0 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.576 ' NH2' HD11 ' A' ' 102' ' ' ILE . 1.1 mtp-105 -85.63 114.84 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.714 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -114.78 107.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.725 HG13 HG22 ' A' ' 108' ' ' VAL . 5.0 mp -92.79 144.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.6 mpt? -126.21 99.05 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HE2' ' A' ' 57' ' ' HIS . . . 66.82 -77.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 102' ' ' ILE . 1.3 mmpt? -87.15 -175.53 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -76.19 49.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -106.71 80.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 102' ' ' ILE . 1.4 t -84.13 150.33 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.424 ' CE1' ' SD ' ' A' ' 103' ' ' MET . 60.3 m-85 -133.82 142.48 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.4 ttp85 -97.13 112.28 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' GLY . 61.3 t80 -80.12 111.76 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.86 118.95 37.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 2.0 t-80 -124.3 78.75 60.68 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.37 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.67 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.542 0.687 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 24.6 p-80 -160.26 154.54 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -102.1 126.06 48.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -101.92 131.98 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -77.11 104.12 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -109.65 1.88 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -46.12 165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 8.0 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mt -39.59 -53.02 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -142.9 167.45 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.746 ' N ' HD12 ' A' ' 25' ' ' LEU . 38.8 m-85 -132.56 142.43 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 25' ' ' LEU . 27.2 m-85 -99.3 106.99 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -69.01 127.4 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -84.46 176.32 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.36 128.36 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.88 -119.9 2.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.574 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 4.4 mm -127.75 122.62 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 45' ' ' ASP . 61.3 m -119.27 94.34 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -78.41 127.87 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 60' ' ' PHE . 3.0 t -99.34 100.65 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.09 -140.53 3.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -100.57 170.3 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -85.27 -11.63 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 24.0 t0 -92.0 -25.37 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.7 143.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.0 mt-10 -37.15 -57.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -92.74 144.6 25.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -62.0 96.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.13 126.13 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.593 ' HB3' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -47.34 -54.79 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -113.23 120.56 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 38' ' ' ALA . 49.8 t -101.55 111.4 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 4.4 mm? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -43.25 116.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -72.11 142.25 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -44.75 -34.24 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.78 53.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -51.17 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.5 p -146.82 -178.82 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 60' ' ' PHE . 35.3 mt -141.77 158.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 35' ' ' VAL . 40.8 m-85 -128.73 107.75 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -99.43 127.86 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -117.91 104.59 11.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -133.8 141.76 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 20.9 ttp180 -80.52 122.89 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -62.1 -175.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -71.69 -14.32 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 t -95.79 5.44 51.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 78.25 13.52 83.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.5 pt-20 -96.91 121.74 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.9 t -68.1 113.75 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -110.5 140.82 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.809 HG12 HD23 ' A' ' 95' ' ' LEU . 76.9 t -115.25 134.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -127.04 140.41 52.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 84' ' ' VAL . 6.4 tp -101.93 127.27 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.66 80.77 5.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.82 171.26 14.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.12 179.23 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.21 -27.52 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -121.97 40.41 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.4 p -120.5 162.94 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -98.81 73.82 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -112.61 151.9 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 58.5 m-85 -154.72 126.77 7.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.884 HG21 HD22 ' A' ' 74' ' ' LEU . 3.0 t -131.49 144.44 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 73.31 28.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.77 68.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -132.9 -175.04 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 19.6 ttp180 -76.38 148.09 37.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 15.0 p -127.2 99.29 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 m -113.91 15.54 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -146.85 153.58 46.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 103.25 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.465 ' C ' HG23 ' A' ' 73' ' ' THR . 32.2 m -118.89 154.63 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.92 99.31 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.874 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.2 mm? -38.75 142.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -104.3 132.24 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -42.85 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.8 26.42 10.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' HG12 ' A' ' 101' ' ' ILE . 3.6 p-10 -80.82 145.85 31.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -90.19 120.45 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.72 HG23 ' CG2' ' A' ' 84' ' ' VAL . 3.6 mt -116.38 145.3 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 108' ' ' VAL . 21.3 mt -142.71 141.06 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -136.49 151.45 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 105' ' ' LYS . . . 35.16 -103.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 6.6 mptt -147.21 137.68 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.47 27.45 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 105' ' ' LYS . 21.2 m80 -119.13 50.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 102' ' ' ILE . 7.7 t -83.28 152.4 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.9 m-85 -152.95 144.85 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -106.02 136.41 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' CB ' ' OD1' ' A' ' 99' ' ' ASN . 39.1 t80 -88.75 125.0 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.0 t-20 -116.31 103.07 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.0 t-80 -119.73 78.6 22.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.558 0.694 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.1 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.556 0.694 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -150.02 151.35 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.22 136.66 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.43 151.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -90.41 75.64 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.812 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.5 pt? -78.69 6.78 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.543 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -48.63 177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 89.0 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -87.37 -42.25 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.43 162.12 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.633 ' N ' HD12 ' A' ' 25' ' ' LEU . 59.7 m-85 -132.16 124.76 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.81 106.88 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mt -69.12 122.87 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -86.27 159.33 19.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.39 76.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -172.04 -125.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 2.8 mm -131.88 112.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 45' ' ' ASP . 54.4 m -96.97 94.25 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.643 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.8 mtt85 -65.51 126.35 28.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.2 t -111.67 93.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' O ' HD22 ' A' ' 48' ' ' LEU . . . -166.12 -138.58 2.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.479 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -91.2 163.16 14.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.73 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -88.77 -25.01 22.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' ALA . 59.0 m-20 -75.32 -20.17 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.28 152.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -34.46 -40.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -121.51 178.46 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -88.07 116.45 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -86.5 158.12 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.526 ' CB ' HG23 ' A' ' 33' ' ' THR . 1.6 m-20 -70.67 -63.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -100.02 108.77 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.73 HG11 ' HB2' ' A' ' 38' ' ' ALA . 12.3 t -92.57 122.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.575 HG22 ' N ' ' A' ' 54' ' ' LYS . 3.3 mm -134.58 162.06 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' N ' HG22 ' A' ' 53' ' ' ILE . 42.0 mmtt -122.16 151.66 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.15 -45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.8 mm-40 -122.23 39.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 8.7 t60 -34.55 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.8 t -172.22 -179.74 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.703 ' O ' HD12 ' A' ' 74' ' ' LEU . 13.0 mt -156.44 168.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 101' ' ' ILE . 28.0 m-85 -139.42 106.72 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.721 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.9 ttt-85 -99.57 136.08 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -128.98 126.5 39.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -157.9 143.38 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -80.43 130.88 35.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 t -70.13 177.73 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -67.46 -9.01 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.6 p -100.53 0.36 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.3 84.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.7 pt-20 -86.93 119.85 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.15 108.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.44 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.8 mm -109.36 145.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 61' ' ' ARG . 16.1 t -124.04 145.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -134.28 132.99 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.952 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.6 tp -96.91 140.91 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -125.03 81.97 62.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.669 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.79 146.99 61.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.33 -179.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -91.55 124.9 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 65.8 27.16 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -89.51 -174.49 4.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.55 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -115.45 78.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.528 HG21 ' SG ' ' A' ' 58' ' ' CYS . 1.3 m -132.19 122.95 26.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.14 130.96 53.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' LYS . 55.7 t -116.74 128.71 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 63.36 25.02 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.79 -28.38 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 84' ' ' VAL . 14.0 pttt -92.68 171.3 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 7.3 tpt180 -84.63 147.23 27.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 89' ' ' VAL . 13.3 p -124.91 106.68 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -120.2 16.45 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.3 pt20 -142.54 155.38 63.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 94.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.614 HG13 ' HG2' ' A' ' 91' ' ' GLN . 32.6 m -118.58 167.94 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.65 141.24 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.952 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.4 mm? -87.51 161.59 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -119.14 163.95 16.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -72.21 109.6 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.49 57.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.478 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 2.6 p30 -67.34 130.64 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -82.1 117.56 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.735 HD13 ' CZ ' ' A' ' 60' ' ' PHE . 15.5 mt -114.82 113.22 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.91 122.45 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.451 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -115.33 145.77 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 50.75 -116.9 4.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -116.97 -71.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -107.26 45.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 36.5 m-70 -125.28 58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 8.1 t -83.7 159.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 85.7 m-85 -154.9 144.82 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.746 ' HB2' HD22 ' A' ' 14' ' ' LEU . 34.8 ttm180 -112.47 128.02 56.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.591 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 43.0 t80 -83.21 138.14 33.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.05 104.1 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -113.48 79.33 4.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.596 0.713 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.75 144.27 53.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 44.4 p-80 -161.19 153.38 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.603 HD11 HD11 ' A' ' 28' ' ' ILE . 6.2 mt -108.0 130.58 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.5 144.99 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.3 t-20 -90.08 75.39 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.771 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -77.27 6.22 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.96 164.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 4.0 mm? -72.36 -41.5 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.94 163.45 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 73.4 m-85 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD1' HD11 ' A' ' 25' ' ' LEU . 33.5 m-85 -81.28 114.25 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 11' ' ' LEU . 2.2 mt -79.89 107.6 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -101.64 77.99 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.801 ' C ' HD12 ' A' ' 32' ' ' ILE . . . -179.0 -118.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -115.53 125.35 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' CG ' ' A' ' 45' ' ' ASP . 98.1 m -126.33 99.09 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 59' ' ' ILE . 44.9 mtt180 -83.87 130.92 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 60' ' ' PHE . 14.9 t -107.24 104.0 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.94 -142.97 3.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -102.57 162.48 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.1 -19.28 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.6 m-20 -68.94 -38.61 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -34.1 133.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.4 mt-10 -35.04 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ALA . 13.4 mmt180 -119.97 104.7 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 54.0 ttt180 -34.99 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 7.6 mm100 -54.07 166.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.696 ' CG ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -76.28 -55.21 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.637 HG22 HD21 ' A' ' 48' ' ' LEU . 8.9 mt -107.51 114.21 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 48' ' ' LEU . 10.1 t -87.36 124.41 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.8 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.766 0.317 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -79.27 149.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -119.97 149.97 41.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 4.9 pm0 -46.77 -34.58 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -129.17 39.79 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.5 t60 -38.96 -42.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' HG13 ' A' ' 59' ' ' ILE . 4.0 t -167.36 175.39 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 60' ' ' PHE . 25.1 mt -144.96 166.49 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE2' HG21 ' A' ' 35' ' ' VAL . 80.2 m-85 -137.04 109.46 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' HG13 ' A' ' 72' ' ' VAL . 15.0 ttm180 -102.01 129.5 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 m -124.09 112.53 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 2.4 tm-20 -142.7 144.51 32.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -80.53 125.33 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -64.39 -179.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -68.76 -20.34 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -86.05 -2.63 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.35 6.28 78.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 3.5 pt-20 -91.84 126.62 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 47.5 t -66.54 100.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 10.6 mm -103.09 124.46 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 61' ' ' ARG . 67.2 t -108.72 142.25 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.6 m -131.56 151.14 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.746 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -102.13 153.26 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.59 80.89 13.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.544 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.73 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.25 171.3 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.66 -28.18 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -100.39 26.43 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -132.06 169.74 15.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -119.94 89.4 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -107.48 140.36 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 97.8 m-85 -133.25 126.21 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 87' ' ' LYS . 20.7 t -115.06 127.66 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.71 28.42 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.44 -24.05 24.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' VAL . 30.0 pttt -96.75 167.46 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 37.2 ttp180 -77.48 160.59 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 89' ' ' VAL . 13.3 p -144.37 111.78 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.84 -18.37 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -112.37 155.68 43.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 111.85 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.459 ' C ' HG23 ' A' ' 73' ' ' THR . 21.9 m -131.11 156.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -75.66 119.96 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.7 mm? -64.53 153.28 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -106.99 140.5 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 t -57.23 92.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.83 29.24 2.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.546 HD21 HD11 ' A' ' 101' ' ' ILE . 6.2 p-10 -96.65 133.94 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -82.39 115.48 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.661 HD13 ' CE1' ' A' ' 60' ' ' PHE . 6.9 mt -108.82 116.72 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.593 HG13 HG13 ' A' ' 108' ' ' VAL . 4.8 mp -105.26 155.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.3 mpt? -140.87 105.52 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.74 29.09 73.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt 44.0 34.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -125.72 -32.29 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CG ' HD12 ' A' ' 48' ' ' LEU . 71.9 m-70 -127.68 131.94 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.593 HG13 HG13 ' A' ' 102' ' ' ILE . 15.0 t -128.6 114.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 107' ' ' HIS . 19.2 m-85 -121.21 154.74 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.58 ' HB2' HD22 ' A' ' 14' ' ' LEU . 12.8 tpp85 -112.1 132.15 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -79.46 132.97 36.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.0 t-20 -118.62 110.89 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 15.2 t-80 -124.93 80.73 63.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.679 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.77 139.88 41.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 30.4 p-80 -158.38 150.56 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 60' ' ' PHE . 83.7 mt -98.33 135.04 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.21 127.14 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.542 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -66.35 74.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.46 7.26 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.48 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 61.2 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.9 -41.04 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.62 163.43 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.79 ' N ' HD12 ' A' ' 25' ' ' LEU . 56.9 m-85 -133.3 131.57 40.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -90.76 101.05 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.21 121.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -85.16 177.74 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -82.73 123.93 29.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 133.06 -128.02 4.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -113.23 127.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 45' ' ' ASP . 54.0 m -131.17 95.16 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' OE1' ' A' ' 44' ' ' GLN . 36.5 mtt85 -76.53 146.84 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -117.59 124.68 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.28 -178.71 31.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.482 HE21 ' N ' ' A' ' 37' ' ' GLN . 1.1 mm-40 -45.6 164.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.21 -46.46 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 64.5 m-20 -66.55 -16.7 64.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -34.6 136.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.8 mt-10 -34.86 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 5.3 mmp_? -112.04 136.89 50.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -54.59 125.74 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 42' ' ' ARG . 1.4 mm-40 -114.69 125.17 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 33' ' ' THR . 20.4 t70 -61.39 -51.54 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.77 HG22 HD21 ' A' ' 48' ' ' LEU . 20.0 mt -97.09 111.54 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.604 ' C ' HD22 ' A' ' 48' ' ' LEU . 5.0 t -95.49 124.19 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.3 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 13.1 mm -56.98 153.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 13.5 mmtp -101.95 155.35 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -45.72 -43.53 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -126.87 48.85 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.0 t60 -35.0 -66.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.2 p -144.09 179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.0 mt -134.4 159.44 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 11' ' ' LEU . 18.5 m-85 -134.18 109.08 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -106.89 107.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -101.71 110.69 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.64 143.01 45.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 21.6 ttp180 -80.39 125.15 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 t -62.57 -179.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.71 -29.05 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -77.18 -2.42 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.11 27.79 43.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.18 124.55 52.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 79.7 t -63.47 127.41 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mm -126.69 145.53 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.802 HG12 HD23 ' A' ' 95' ' ' LEU . 95.6 t -116.34 148.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -138.07 157.76 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.5 tp -122.87 116.83 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 82.39 2.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.757 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.74 166.62 26.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.95 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.83 -8.93 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -119.2 25.85 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -121.9 146.76 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -105.67 82.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -113.69 143.26 44.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 77.1 m-85 -134.35 111.27 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 101' ' ' ILE . 75.2 t -106.69 140.25 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.21 44.34 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.23 9.13 34.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . 22.6 mmtp -128.26 171.71 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 3.7 ttm180 -89.22 129.55 35.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.757 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.1 p -101.68 129.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -137.95 18.04 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.661 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.6 pt20 -149.85 156.29 38.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 93.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.661 HG13 ' HG2' ' A' ' 91' ' ' GLN . 26.3 m -114.86 146.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.33 107.77 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.802 HD23 HG12 ' A' ' 72' ' ' VAL . 2.4 mm? -54.06 150.56 7.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' GLY . 3.8 tpm_? -103.47 137.45 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -54.54 84.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 127.19 17.24 2.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.431 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.575 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.7 p30 -84.88 133.99 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 102' ' ' ILE . 12.6 ttm-85 -82.7 121.0 26.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 84' ' ' VAL . 14.9 mt -119.61 129.71 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.684 HG13 HG13 ' A' ' 108' ' ' VAL . 4.1 mp -115.3 143.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -133.85 138.14 45.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.03 -107.69 2.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -115.37 -75.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.62 50.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' MET . 2.1 m-70 -116.82 75.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.684 HG13 HG13 ' A' ' 102' ' ' ILE . 1.5 t -86.64 161.72 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 97.3 m-85 -159.92 135.49 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.797 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.6 ttt180 -100.34 120.23 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 72' ' ' VAL . 6.9 t80 -79.21 101.18 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.495 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 10.9 m-20 -82.47 158.02 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 5.8 t-80 -161.1 78.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.576 0.703 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.7 129.15 17.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 56.5 p-80 -152.81 151.5 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.33 132.3 44.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.76 146.64 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.07 123.25 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.569 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 pt? -132.74 6.41 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -58.39 -177.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -46.78 -38.42 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.5 170.14 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 25' ' ' LEU . 51.9 m-85 -140.94 121.54 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.56 109.24 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.88 107.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.22 174.16 8.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -83.48 113.55 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.48 -113.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mm -131.95 118.58 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 45' ' ' ASP . 17.3 m -109.3 95.21 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.5 mtm180 -74.37 129.74 38.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 60' ' ' PHE . 20.9 t -114.31 90.75 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.63 -112.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 20.1 mt-30 -121.82 177.76 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -92.59 -25.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 4.1 m-20 -71.76 -20.39 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.623 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . . . -37.2 150.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.05 -41.13 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -107.25 178.47 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -84.06 90.77 7.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.623 ' HG2' ' HB3' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -60.74 130.05 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.9 t70 -53.14 -56.12 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.713 ' CG2' HD11 ' A' ' 48' ' ' LEU . 14.5 mt -110.77 144.93 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 48' ' ' LEU . 60.2 t -126.24 123.11 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.77 0.319 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 23.6 mm -109.9 129.25 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -102.2 158.41 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -124.98 30.43 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.528 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 5.8 t60 -39.11 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.9 t -170.62 179.88 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 74' ' ' LEU . 11.0 mt -154.32 167.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 24.4 m-85 -143.28 116.72 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -99.37 145.67 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -129.57 123.03 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -156.97 131.41 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 4.6 ttm105 -80.33 121.33 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 37.3 t -54.1 179.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -71.09 -14.65 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -84.79 -37.24 21.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.22 14.74 2.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -102.97 131.59 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 38.4 t -72.14 108.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -85.21 154.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 95' ' ' LEU . 85.2 t -138.05 114.88 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.21 137.1 52.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.957 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -99.35 154.66 18.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 2.8 mm-40 -141.69 81.45 14.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 177.38 5.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -106.78 166.17 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -89.99 -6.19 55.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -125.12 29.91 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -130.47 -176.17 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.528 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 5.1 mp0 -129.07 92.9 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 89' ' ' VAL . 4.0 m -121.01 124.04 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.83 122.38 42.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 101' ' ' ILE . 41.9 t -116.41 129.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 63.8 28.72 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.61 -34.23 4.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.88 169.5 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -80.65 161.29 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 89' ' ' VAL . 12.2 p -139.4 107.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 p -111.13 -21.57 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 3.4 mm100 -111.61 161.06 27.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.448 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 54.4 Cg_endo -69.72 116.53 4.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.97 152.8 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -75.41 124.73 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.957 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -70.44 156.15 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -110.85 144.44 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 113' ' ' HIS . 17.8 t -54.22 105.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.43 41.31 4.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.776 ' ND2' HD12 ' A' ' 95' ' ' LEU . 8.1 p-10 -94.03 147.57 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -95.09 106.68 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' A' ' 103' ' ' MET . 4.9 mt -105.83 104.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 108' ' ' VAL . 25.3 mt -97.4 120.25 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -110.0 145.5 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.45 -98.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 -73.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -107.07 50.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.487 ' HD2' HD11 ' A' ' 53' ' ' ILE . 14.2 m-70 -130.05 66.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.693 HG22 HG12 ' A' ' 102' ' ' ILE . 2.5 t -90.68 157.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -152.57 135.99 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -100.18 121.77 41.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 10.4 t80 -79.26 106.02 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.467 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 8.8 m-20 -88.1 112.99 23.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.423 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 1.9 t-80 -117.01 72.28 5.99 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.53 0.681 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 141.09 44.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -159.68 150.43 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.834 HD11 ' CE2' ' A' ' 60' ' ' PHE . 96.7 mt -98.69 139.66 34.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.65 128.0 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 26.3 t-20 -79.37 95.71 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.5 pt? -101.55 6.76 42.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.621 HD22 ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -45.06 161.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.847 0.356 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.7 mm? -47.04 -45.14 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -144.39 167.24 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.759 ' N ' HD12 ' A' ' 25' ' ' LEU . 85.2 m-85 -130.74 135.29 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HD11 ' A' ' 25' ' ' LEU . 11.9 m-85 -91.65 127.73 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 60' ' ' PHE . 2.4 mt -95.7 103.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -92.18 79.38 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.66 -128.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 59' ' ' ILE . 2.9 mp -116.79 109.01 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.878 HG23 ' HB3' ' A' ' 45' ' ' ASP . 3.4 m -101.48 101.96 12.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 30.1 mtt-85 -76.91 109.55 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.09 HG12 HD21 ' A' ' 48' ' ' LEU . 2.5 t -91.79 114.03 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.64 -136.42 2.0 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HA ' HG13 ' A' ' 47' ' ' VAL . 11.8 mm-40 -102.17 176.45 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.96 -28.15 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ALA . 9.0 m-20 -57.68 -36.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.837 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.0 150.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -64.18 -46.3 84.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -92.35 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 43' ' ' ARG . 9.0 ttp-105 -41.39 116.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 6.9 mm100 -79.97 157.87 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.878 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.4 t70 -76.58 -46.41 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mt -125.03 112.39 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 37' ' ' GLN . 21.3 t -98.62 111.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.09 HD21 HG12 ' A' ' 35' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 107' ' ' HIS . 11.9 mm -110.61 93.94 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' N ' ' HE2' ' A' ' 54' ' ' LYS . 5.8 mmpt? -53.74 136.3 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.837 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -43.65 -34.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.8 mt-10 -121.27 41.01 3.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.2 t60 -34.41 -64.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 74' ' ' LEU . 30.3 p -156.7 176.64 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.1 mt -141.52 161.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 11' ' ' LEU . 48.6 m-85 -127.21 107.35 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -99.49 108.48 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 95.45 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -122.66 147.93 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 11.1 ttp180 -80.25 117.8 21.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -59.02 173.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -61.92 -19.51 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -88.31 -0.16 56.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.2 14.39 76.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.3 pt-20 -101.72 122.46 43.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 99.3 t -64.72 129.54 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.6 mm -130.27 140.85 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.6 t -117.33 134.48 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -127.74 135.52 50.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.003 HD23 HG21 ' A' ' 89' ' ' VAL . 16.0 tp -87.56 119.54 27.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.55 80.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.987 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.73 174.84 8.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.8 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.19 -37.42 26.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -106.55 34.31 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.8 p -105.31 139.55 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -95.4 59.16 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -97.68 145.75 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -140.89 113.3 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.582 HG22 HG12 ' A' ' 101' ' ' ILE . 84.6 t -109.18 130.38 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 m120 62.31 36.54 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.02 10.05 55.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -118.61 -178.66 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -92.49 129.42 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.003 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -112.55 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 p -109.13 -3.04 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.437 ' CB ' ' HD2' ' A' ' 92' ' ' PRO . 0.0 OUTLIER -131.9 167.0 24.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 91' ' ' GLN . 53.3 Cg_endo -69.79 116.51 4.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 19.3 m -139.37 144.7 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 27.4 mt-30 -67.3 137.53 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.976 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.86 143.53 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.763 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 3.5 tpm_? -106.53 122.04 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.74 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 130.09 22.71 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.763 ' ND2' ' H ' ' A' ' 96' ' ' ARG . 93.8 m-20 -90.49 -177.57 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.452 ' HG2' HD11 ' A' ' 14' ' ' LEU . 17.1 mtm180 -129.68 100.8 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.582 HG12 HG22 ' A' ' 84' ' ' VAL . 9.6 mt -101.12 117.04 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.927 HG12 HG22 ' A' ' 108' ' ' VAL . 25.1 mt -108.19 109.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.525 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.8 mtt -108.57 140.01 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' ' 53' ' ' ILE . . . 80.46 -105.01 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.72 -67.32 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -122.55 46.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.623 ' CD2' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.63 79.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.927 HG22 HG12 ' A' ' 102' ' ' ILE . 4.2 t -83.3 150.55 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 56.8 m-85 -155.75 127.2 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.65 HH12 HD13 ' A' ' 14' ' ' LEU . 5.3 ttp-105 -97.39 134.83 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 76.2 t80 -79.85 152.83 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -135.07 162.44 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.438 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 4.4 t-80 -168.34 80.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.579 0.704 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB3' HG21 ' A' ' 72' ' ' VAL . 53.6 Cg_endo -69.78 97.14 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.6 p-80 -118.35 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 111' ' ' PHE . 2.0 mt -98.33 130.12 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.53 156.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -93.87 101.74 13.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 110' ' ' ARG . 1.4 pt? -115.96 9.7 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -45.03 170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.12 -38.11 61.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.32 -179.79 6.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.997 ' N ' HD12 ' A' ' 25' ' ' LEU . 52.5 m-85 -143.12 123.43 13.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.91 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.1 m-85 -92.33 138.53 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.85 127.34 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.96 -172.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -102.09 79.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.671 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 170.54 -122.46 0.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.7 mp -114.77 134.24 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.2 m -128.1 104.44 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -80.31 110.58 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.29 142.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.17 -132.78 2.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -101.08 169.92 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -87.86 -24.25 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -75.82 -23.14 55.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -37.86 135.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.0 mt-10 -37.75 -36.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.7 mtm180 -114.44 109.98 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ARG . 49.8 ttt180 -36.41 118.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -88.5 133.03 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.9 t70 -47.6 -66.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' CD2' ' A' ' 48' ' ' LEU . 33.4 mt -101.94 119.1 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ALA . 49.2 t -99.91 119.95 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 109' ' ' PHE . 2.9 mm? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 m80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 107' ' ' HIS . 3.6 mm -100.78 165.35 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' H ' HG22 ' A' ' 53' ' ' ILE . 38.0 mmtt -114.64 137.41 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' LYS . 3.9 mp0 -34.58 -46.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' HIS . 20.4 mt-10 -119.72 49.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.9 t60 -34.63 -69.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 82' ' ' THR . 30.7 m -148.95 -176.87 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 60' ' ' PHE . 17.4 mt -140.35 154.38 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 74' ' ' LEU . 44.7 m-85 -123.82 110.35 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -99.87 104.95 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 72' ' ' VAL . 58.7 m -112.35 103.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.5 173.75 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 1.1 ttp-105 -80.46 108.57 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -49.62 178.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.13 -21.14 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 m -90.44 -1.93 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 92.42 0.21 70.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 71' ' ' ILE . 4.0 pt-20 -93.72 124.6 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.91 113.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 69' ' ' GLU . 49.4 mm -114.72 154.53 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 62' ' ' SER . 67.4 t -124.63 133.42 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.519 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -128.64 135.27 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.939 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.5 tp -93.92 120.8 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -108.19 80.96 1.18 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 155.31 66.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.93 -174.56 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -84.95 126.06 33.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 64.03 39.03 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' THR . 2.0 p -100.29 126.34 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.58 75.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -129.3 141.76 51.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -145.95 126.77 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.719 HG22 HG13 ' A' ' 101' ' ' ILE . 24.9 t -116.6 129.77 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m120 63.19 26.38 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.9 -28.03 10.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.18 161.73 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -71.82 165.28 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.4 p -145.58 108.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 t -120.24 -7.92 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.518 ' HG2' HG13 ' A' ' 93' ' ' VAL . 1.9 pt20 -117.83 155.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.519 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -121.4 153.67 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' NE2' HG21 ' A' ' 71' ' ' ILE . 50.1 mt-30 -70.54 134.99 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.0 mm? -74.85 148.83 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 2.9 tpm_? -99.24 121.31 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.94 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 134.5 4.6 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.494 HD21 HD11 ' A' ' 101' ' ' ILE . 3.1 p30 -80.37 -174.09 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 14' ' ' LEU . 57.7 mtp180 -136.38 108.33 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.719 HG13 HG22 ' A' ' 84' ' ' VAL . 4.9 mp -93.82 120.74 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.663 HG12 HG22 ' A' ' 108' ' ' VAL . 26.3 mt -106.77 118.84 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.488 ' HG2' HG23 ' A' ' 82' ' ' THR . 4.8 mtt -124.32 103.53 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.54 -99.58 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -130.57 -73.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -114.87 21.18 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -86.26 78.59 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.663 HG22 HG12 ' A' ' 102' ' ' ILE . 1.5 t -102.54 140.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 48' ' ' LEU . 74.7 m-85 -135.79 142.49 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.683 ' CB ' HD22 ' A' ' 14' ' ' LEU . 28.8 ttm-85 -96.65 129.01 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.44 ' HD1' HD23 ' A' ' 11' ' ' LEU . 8.8 t80 -80.99 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -124.52 103.11 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -111.73 74.26 1.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.561 0.696 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.54 9.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.441 ' HB2' HD13 ' A' ' 25' ' ' LEU . 7.9 p-80 -140.36 147.82 40.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 ' CE2' ' A' ' 60' ' ' PHE . 62.6 mt -98.5 127.33 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.18 136.27 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 37.8 t-20 -83.97 77.2 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.59 6.71 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -46.63 172.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 75.6 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.1 mm? -76.05 -43.85 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.7 161.35 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.701 ' N ' HD12 ' A' ' 25' ' ' LEU . 23.8 m-85 -122.43 124.21 43.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 25' ' ' LEU . 8.8 m-85 -88.07 93.07 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.7 mt -53.11 158.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.3 mttp -104.9 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.73 78.35 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.36 -106.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 4.2 mm -131.89 130.92 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.5 m -134.1 102.83 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -76.53 140.66 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD21 ' A' ' 48' ' ' LEU . 2.8 t -118.14 109.33 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.46 -118.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.764 ' HA ' HG13 ' A' ' 47' ' ' VAL . 44.7 mm-40 -115.21 -178.52 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.91 -20.38 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' CD ' ' A' ' 55' ' ' GLU . . . -38.45 142.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -38.96 -36.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -113.36 139.91 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 29.6 ttp180 -65.68 110.73 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' CA ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -91.94 139.69 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.696 ' HB3' HG23 ' A' ' 33' ' ' THR . 17.9 t70 -64.58 -58.63 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.8 116.89 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.764 HG13 ' HA ' ' A' ' 37' ' ' GLN . 58.3 t -105.46 114.47 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.764 0.316 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 54' ' ' LYS . 4.6 mm -103.74 158.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 53' ' ' ILE . 20.3 mmtt -107.23 151.36 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 36.1 mt-10 -53.77 -30.65 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.3 mt-10 -131.71 44.59 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.6 t60 -34.98 -70.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 p -142.84 178.96 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -140.08 153.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.693 ' CE2' HD11 ' A' ' 11' ' ' LEU . 30.2 m-85 -123.47 112.41 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 23.4 ttp180 -105.77 114.83 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 t -113.46 101.62 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.41 147.67 51.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -80.89 104.26 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 t -42.14 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -20.14 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -15.28 49.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.86 9.35 46.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.23 125.43 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 89.9 t -63.71 131.18 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 7.7 mm -130.68 129.57 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.631 HG12 HD23 ' A' ' 95' ' ' LEU . 64.4 t -106.69 129.35 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.458 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -124.25 137.0 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.894 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 tp -97.77 117.47 32.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -109.16 80.71 1.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.923 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.71 175.85 7.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.88 -179.23 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -89.47 -35.35 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -97.73 36.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m -127.19 159.3 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -111.83 88.39 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.84 156.24 29.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 88.8 m-85 -153.18 117.68 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.679 HG13 HD22 ' A' ' 99' ' ' ASN . 12.7 t -113.71 132.8 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.1 m120 60.88 33.45 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.95 -23.91 4.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -90.36 -174.68 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HE ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.63 143.62 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.5 p -126.6 109.49 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -121.19 8.34 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.415 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 8.8 mm-40 -136.89 160.6 65.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.7 Cg_endo -69.8 96.73 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -126.3 150.54 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 73' ' ' THR . 29.0 mt-30 -62.24 145.85 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mm? -87.17 146.64 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -99.12 119.42 37.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.99 87.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 129.78 12.01 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.679 HD22 HG13 ' A' ' 84' ' ' VAL . 11.1 p-10 -87.38 150.34 23.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.612 ' HG2' HD11 ' A' ' 102' ' ' ILE . 7.2 ttm180 -93.24 101.69 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 84' ' ' VAL . 18.0 mt -90.21 121.28 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 100' ' ' ARG . 3.8 mp -118.62 138.62 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.158 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 11.3 mtt -132.92 148.25 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.09 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' MET . 0.4 OUTLIER -154.37 142.35 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 47.88 34.7 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -130.82 65.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.598 HG13 HG13 ' A' ' 102' ' ' ILE . 4.0 t -93.15 156.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 36.4 m-85 -158.07 143.42 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.856 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.0 ttp-105 -107.57 130.24 54.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 23.1 t80 -82.81 140.37 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -124.12 119.0 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.4 t-80 -133.85 74.78 68.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.5 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.615 0.722 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.72 124.83 11.49 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 24.8 p-80 -141.3 166.97 23.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -120.31 129.73 54.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.98 158.65 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -102.56 95.6 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.4 pt? -104.64 7.03 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.613 HD21 ' N ' ' A' ' 108' ' ' VAL . 15.5 m120 -45.95 171.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 96.1 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 24' ' ' LEU . 2.2 mm? -72.08 -38.37 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.48 161.79 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.63 ' N ' HD12 ' A' ' 25' ' ' LEU . 31.6 m-85 -128.72 131.06 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 25' ' ' LEU . 35.0 m-85 -91.74 119.27 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.93 120.43 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 164.54 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.24 73.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.34 -124.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' A' ' 59' ' ' ILE . 3.6 mp -129.8 102.72 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 33' ' ' THR . 1.6 m -97.07 99.52 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -74.18 136.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.901 HG12 HD21 ' A' ' 48' ' ' LEU . 5.1 t -106.18 109.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.4 -133.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -109.93 175.46 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.66 -22.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -90.7 -10.71 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.34 160.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.24 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' GLN . 18.2 mmt85 -97.41 108.3 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . 5.4 ttp-105 -34.98 93.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ARG . 36.5 mm-40 -62.97 165.73 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.79 -51.62 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 46' ' ' ILE . 6.5 mt -108.2 107.81 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 38' ' ' ALA . 21.4 t -92.54 106.22 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.901 HD21 HG12 ' A' ' 35' ' ' VAL . 1.6 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.702 HD11 ' ND1' ' A' ' 107' ' ' HIS . 18.3 mm -104.41 93.55 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ILE . 1.7 mmmp? -38.26 129.79 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.95 -32.3 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.5 mt-10 -127.8 37.34 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CD2' ' HG1' ' A' ' 82' ' ' THR . 7.0 t60 -34.52 -69.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.5 p -145.27 -179.25 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 60' ' ' PHE . 24.4 mt -140.23 159.45 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.506 ' N ' HG22 ' A' ' 59' ' ' ILE . 17.7 m-85 -123.7 107.45 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -99.92 112.14 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -110.41 91.0 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -117.15 142.84 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 3.4 ttm105 -80.34 108.26 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -47.55 167.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.87 -12.67 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -88.01 -18.78 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 104.38 10.58 33.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.28 132.09 49.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -74.57 110.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.8 mm -104.67 132.72 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 95' ' ' LEU . 63.4 t -109.05 132.91 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -128.6 145.7 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD21 ' A' ' 95' ' ' LEU . 11.1 tp -100.61 121.23 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.49 81.1 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.97 179.98 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.5 -44.04 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -100.13 34.0 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.1 p -112.65 118.71 35.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.48 70.64 7.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.554 ' HG1' ' CD2' ' A' ' 57' ' ' HIS . 2.2 m -101.76 146.43 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 64.3 m-85 -147.5 113.69 5.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.751 HG22 HG12 ' A' ' 101' ' ' ILE . 14.5 t -102.17 135.07 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 55.08 23.41 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.07 66.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.1 143.73 51.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -63.94 135.21 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.0 p -128.39 114.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.7 p -120.66 -14.8 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.43 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 7.7 mm100 -112.22 161.0 28.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.4 Cg_endo -69.82 97.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.469 ' C ' HG23 ' A' ' 73' ' ' THR . 31.8 m -122.15 150.15 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.8 144.16 57.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.2 mm? -88.1 147.88 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -103.63 120.41 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 101.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 115.82 9.66 12.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.615 ' OD1' HG13 ' A' ' 84' ' ' VAL . 2.1 p30 -82.55 162.34 22.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.03 107.18 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.751 HG12 HG22 ' A' ' 84' ' ' VAL . 6.2 mt -98.08 117.9 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.904 HG12 HG22 ' A' ' 108' ' ' VAL . 10.6 mt -109.26 101.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.7 ' SD ' HG11 ' A' ' 35' ' ' VAL . 6.1 mtm -104.67 103.49 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.62 -103.64 3.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.522 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 24.7 mmtp -151.78 129.97 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.01 29.58 14.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.702 ' ND1' HD11 ' A' ' 53' ' ' ILE . 29.4 m80 -115.86 51.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.904 HG22 HG12 ' A' ' 102' ' ' ILE . 2.8 t -84.91 123.44 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -117.97 153.31 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.909 ' HB2' HD22 ' A' ' 14' ' ' LEU . 13.1 ttt-85 -105.14 115.72 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' GLY . 14.8 t80 -79.87 118.47 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.573 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 6.8 m-20 -116.07 115.32 25.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.37 80.82 69.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.363 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.03 52.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.411 ' CD2' HD13 ' A' ' 25' ' ' LEU . 46.5 p-80 -158.49 153.71 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 46' ' ' ILE . 46.3 mt -104.08 125.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.95 142.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -87.25 73.73 9.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.786 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -73.93 3.44 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.3 166.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.1 -34.71 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.911 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.23 175.62 10.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.911 ' N ' HD12 ' A' ' 25' ' ' LEU . 45.8 m-85 -137.73 125.67 22.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.83 137.77 32.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -113.84 117.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.78 176.57 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.4 101.29 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.74 -118.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' C ' ' HZ1' ' A' ' 29' ' ' LYS . 3.6 mp -129.04 106.29 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.599 ' O ' HG22 ' A' ' 33' ' ' THR . 1.3 m -91.76 100.94 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -79.74 116.93 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 48' ' ' LEU . 23.3 t -89.78 129.95 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.13 -140.0 4.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 21.9 mm-40 -102.27 164.99 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.747 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -81.12 -13.89 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ALA . 39.8 m-20 -82.39 -30.53 30.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.82 147.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' ALA . 2.6 pt-20 -34.54 -47.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -107.1 159.76 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -70.43 90.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 83.2 mm-40 -48.46 116.23 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.459 ' CB ' HG23 ' A' ' 33' ' ' THR . 2.5 m-20 -42.64 -31.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' CG2' HD11 ' A' ' 48' ' ' LEU . 29.3 mt -131.46 128.42 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' ' 38' ' ' ALA . 87.8 t -115.05 107.14 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.3 m170 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.768 0.318 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 54' ' ' LYS . 18.4 mm -107.32 162.46 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' N ' HG22 ' A' ' 53' ' ' ILE . 18.5 mmtp -114.64 142.76 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -48.99 -29.71 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.3 mm-40 -131.9 39.84 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t60 -36.53 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.4 p -139.48 -179.12 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 10.2 mt -144.04 161.75 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 24.9 m-85 -131.89 125.43 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -113.46 120.93 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -114.49 111.58 21.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -143.49 153.17 42.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -84.21 128.64 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -69.6 166.29 19.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -54.7 -23.04 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 t -77.15 -28.54 54.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.63 23.93 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 pt-20 -114.99 121.67 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 74.6 t -60.42 109.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.68 150.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG12 HD23 ' A' ' 95' ' ' LEU . 65.8 t -119.85 140.62 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -131.86 135.16 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.972 ' HB2' HD21 ' A' ' 95' ' ' LEU . 5.3 tp -94.66 126.59 40.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -111.34 80.17 2.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.908 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 154.61 67.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.06 179.86 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.71 4.75 30.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -118.78 11.0 12.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.62 -174.91 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.9 tp10 -128.07 100.46 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 1.7 m -119.99 149.74 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 84.5 m-85 -148.65 129.06 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.818 HG13 HD22 ' A' ' 99' ' ' ASN . 85.5 t -127.64 136.56 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.754 HD22 HG12 ' A' ' 84' ' ' VAL . 8.6 m-80 63.67 25.23 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.94 0.77 90.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -119.25 170.95 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.765 0.317 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -78.38 151.13 32.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 76' ' ' PRO . 11.1 p -134.07 98.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -111.46 -11.86 14.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.8 pt20 -113.94 155.68 44.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.696 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 99.0 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 91' ' ' GLN . 34.5 m -120.87 157.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.8 142.79 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.972 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -87.32 176.33 7.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.94 157.66 45.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.87 114.18 20.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.31 0.6 40.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.818 HD22 HG13 ' A' ' 84' ' ' VAL . 4.9 p-10 -78.02 155.44 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -100.99 125.37 47.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 84' ' ' VAL . 7.5 mt -123.27 119.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.685 HG13 HG22 ' A' ' 108' ' ' VAL . 2.9 mp -108.87 136.2 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 mtt -132.47 105.78 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.12 -101.62 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 18.1 mmtp -118.83 -71.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -125.7 18.33 8.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CE1' ' A' ' 109' ' ' PHE . 1.7 m80 -79.37 75.77 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.685 HG22 HG13 ' A' ' 102' ' ' ILE . 1.7 t -87.73 147.71 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 107' ' ' HIS . 23.7 m-85 -144.0 147.82 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.747 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.3 ttm180 -105.51 125.22 50.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.469 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 86.3 t80 -86.18 132.13 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -123.34 124.7 43.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.6 t-80 -107.53 78.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.589 0.709 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.06 15.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.266 . . . . 0.0 112.346 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 35.4 p-80 -150.47 155.5 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 60' ' ' PHE . 28.5 mt -104.72 136.87 43.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.57 148.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -90.27 83.57 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -88.77 1.34 55.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -59.94 177.26 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 8.2 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.88 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.56 164.37 32.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.7 m-85 -135.55 124.29 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.68 130.58 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.8 mt -103.01 122.29 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -80.9 176.23 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.09 83.09 8.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -122.43 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 3.0 mm -128.47 113.02 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 45' ' ' ASP . 96.0 m -111.72 98.24 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HA ' HG23 ' A' ' 59' ' ' ILE . 69.6 mtt180 -67.85 146.75 53.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG21 ' CE2' ' A' ' 60' ' ' PHE . 2.1 t -126.76 117.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.571 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 176.1 -136.31 3.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -100.7 153.32 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.56 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ALA . 25.2 t70 -66.06 -29.51 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.18 147.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 mm-40 -37.07 -57.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 6.0 tpp85 -99.68 130.07 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.9 ttm105 -50.3 135.59 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 4.9 mm100 -110.95 143.32 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.497 ' CB ' HG23 ' A' ' 33' ' ' THR . 27.1 t0 -63.72 -57.62 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.866 ' CG2' HD11 ' A' ' 48' ' ' LEU . 12.3 mt -96.4 125.36 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.584 ' C ' HD13 ' A' ' 48' ' ' LEU . 6.6 t -103.83 128.85 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.866 HD11 ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 107' ' ' HIS . 6.7 mm -146.22 135.05 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' GLU . 15.2 mmtt -91.9 133.8 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' LYS . 39.6 mt-10 -34.5 -44.11 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.5 mm-40 -120.4 49.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.9 t60 -34.67 -69.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 74' ' ' LEU . 27.6 p -148.37 -178.71 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.2 mt -139.86 152.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.4 m-85 -114.94 107.82 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -100.14 135.8 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -129.86 121.43 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -146.44 139.17 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 64' ' ' ARG . 2.9 ttm105 -81.24 116.73 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 t -54.27 160.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.26 -26.83 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -27.1 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.89 21.27 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.5 128.07 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.62 111.44 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.0 mm -110.73 143.61 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 111' ' ' PHE . 22.9 t -116.06 149.9 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -142.59 132.63 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.953 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.6 tp -96.43 129.76 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -112.15 79.92 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.694 0.759 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.894 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 167.67 23.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.38 138.78 37.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -22.55 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.96 36.48 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -127.76 105.76 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.23 99.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -137.97 134.77 35.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 84.2 m-85 -138.17 132.07 31.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.726 HG13 ' OD1' ' A' ' 99' ' ' ASN . 23.1 t -130.78 141.37 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 62.9 31.6 16.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.62 83.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -128.21 177.9 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 20.5 ttp85 -86.3 149.55 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.894 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -130.67 96.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -113.38 30.81 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.51 160.93 23.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.54 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.513 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -118.71 152.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 30.2 mt-30 -70.07 139.57 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.953 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mm? -83.65 170.58 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 96' ' ' ARG . 4.5 mmm180 -135.3 162.36 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.55 115.2 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.0 48.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.726 ' OD1' HG13 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -68.2 147.93 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.724 ' NE ' HD11 ' A' ' 102' ' ' ILE . 1.2 tmm_? -95.64 104.64 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 84' ' ' VAL . 6.9 mt -100.97 124.02 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 108' ' ' VAL . 21.6 mt -115.97 122.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.67 147.23 35.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.437 ' HA3' ' HD1' ' A' ' 107' ' ' HIS . . . 54.98 -104.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -130.81 -63.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -110.32 31.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.442 ' CE1' HD11 ' A' ' 53' ' ' ILE . 5.7 m80 -108.41 66.43 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 102' ' ' ILE . 67.4 t -84.51 153.41 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.498 ' C ' HD21 ' A' ' 14' ' ' LEU . 80.5 m-85 -156.4 148.02 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.716 ' HB2' HD22 ' A' ' 14' ' ' LEU . 31.3 ttt180 -117.32 117.69 30.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.646 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 58.6 t80 -79.59 123.16 27.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 23.3 m-20 -109.95 140.5 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -139.34 80.6 22.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.326 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.0 Cg_endo -69.8 131.99 22.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.27 154.37 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.32 117.02 32.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.75 133.34 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -78.96 125.5 29.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -125.73 12.69 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -51.46 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.547 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.912 0.386 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -104.51 -19.35 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.61 157.45 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.944 ' N ' HD12 ' A' ' 25' ' ' LEU . 57.4 m-85 -135.17 138.2 43.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -88.69 144.26 26.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.06 110.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -54.71 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -104.24 78.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.01 -106.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mm -128.53 126.06 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 45' ' ' ASP . 97.6 m -121.39 104.4 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HA ' HG23 ' A' ' 59' ' ' ILE . 49.4 mtt180 -78.51 128.44 33.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.34 104.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.01 -148.76 5.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -87.19 162.64 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -77.67 -37.26 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.71 -14.43 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' CB ' HE21 ' A' ' 44' ' ' GLN . . . -40.31 141.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -37.79 -57.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' ARG . 10.8 tpp180 -97.6 111.34 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 tpt180 -34.52 132.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' A' ' 40' ' ' ALA . 9.3 mm-40 -106.75 164.42 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.7 t70 -85.14 -64.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' TYR . 6.4 mt -96.86 117.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 38' ' ' ALA . 40.6 t -99.94 111.57 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.1 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.9 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.755 0.312 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.682 HD11 ' HD2' ' A' ' 107' ' ' HIS . 30.3 mm -141.21 153.92 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.23 150.92 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.62 -30.0 62.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.5 mt-10 -129.51 41.58 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.6 t60 -36.69 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 59' ' ' ILE . 7.8 p -146.61 -175.11 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.2 mt -143.9 159.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 59' ' ' ILE . 32.7 m-85 -132.44 112.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -101.35 128.74 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.52 97.71 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -126.98 141.58 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -80.39 113.7 18.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -51.51 166.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -58.81 -18.49 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -80.57 -25.49 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.74 19.35 8.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -110.01 126.53 54.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 43.4 t -67.17 98.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.3 mm -95.83 152.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG12 HD23 ' A' ' 95' ' ' LEU . 96.9 t -125.8 131.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.534 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.1 m -122.79 138.48 54.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 95' ' ' LEU . 7.2 tp -96.0 126.33 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -114.39 80.74 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.69 172.07 13.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.658 2.238 . . . . 0.0 112.377 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.9 -179.28 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -86.96 -36.45 18.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -91.89 17.87 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -119.57 142.9 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -101.85 97.98 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -121.29 142.39 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 75.7 m-85 -137.66 111.71 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 101' ' ' ILE . 18.3 t -106.19 134.48 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m120 61.75 21.6 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.57 3.93 77.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' VAL . 8.0 ptpp? -125.11 156.91 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 1.4 ttm180 -73.45 132.95 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.617 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.1 p -110.17 114.25 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.6 m -122.11 21.91 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.538 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.0 pt20 -148.44 154.13 41.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.24 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 91' ' ' GLN . 16.9 m -115.73 159.54 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.8 99.75 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -38.33 148.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.31 120.86 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -36.33 114.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 95.2 10.81 56.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.785 HD21 HD11 ' A' ' 101' ' ' ILE . 8.9 p-10 -78.52 130.92 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -82.25 111.21 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.785 HD11 HD21 ' A' ' 99' ' ' ASN . 7.0 mt -108.02 121.52 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 HG22 ' A' ' 108' ' ' VAL . 39.8 mt -109.05 119.38 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.8 mtm -120.03 99.49 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.35 -107.72 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -116.45 -67.07 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 m120 -124.49 8.36 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.682 ' HD2' HD11 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -72.24 91.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.757 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -113.09 146.05 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -139.37 155.53 47.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.636 ' HB2' HD22 ' A' ' 14' ' ' LEU . 2.4 tmm_? -106.04 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 37.1 t80 -79.39 107.09 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -93.44 111.66 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.418 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.1 t-80 -113.55 77.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.0 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.537 0.684 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.83 130.84 19.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -151.36 145.83 25.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 60' ' ' PHE . 51.8 mt -99.33 130.37 45.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.7 144.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -88.04 71.33 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.8 pt? -69.48 -1.32 8.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -49.81 163.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 26.7 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' CYS . 1.5 mm? -35.39 -48.7 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.22 172.81 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.833 ' N ' HD12 ' A' ' 25' ' ' LEU . 44.2 m-85 -134.01 123.7 25.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -86.51 107.94 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -78.32 119.15 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -75.45 173.65 10.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.31 83.9 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.638 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 179.44 -127.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 31' ' ' GLY . 2.1 mp -119.04 114.53 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.2 m -110.59 95.29 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' NH1' HG21 ' A' ' 32' ' ' ILE . 26.0 mtm-85 -71.52 133.7 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.844 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -112.08 127.13 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 170.17 -130.17 1.97 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -100.43 167.73 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.334 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -84.9 -26.15 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -87.41 -8.07 56.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.03 149.15 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -44.04 -56.08 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' GLN . 5.1 mmp_? -94.35 114.03 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' ARG . 34.8 ttp180 -37.28 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' ARG . 35.7 mm-40 -65.68 104.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.683 ' HB3' HG23 ' A' ' 33' ' ' THR . 7.7 t0 -34.98 -54.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -102.53 124.4 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 38' ' ' ALA . 20.3 t -107.84 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.844 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.9 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 107' ' ' HIS . 39.4 mm -97.32 150.61 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -116.17 142.96 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 22.4 mp0 -39.62 -35.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.91 54.36 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -41.17 -51.01 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.4 p -158.69 -176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 60' ' ' PHE . 45.1 mt -144.83 154.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.1 m-85 -127.8 108.88 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -105.03 119.94 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -109.59 99.57 8.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.07 134.91 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 13.6 ttm180 -80.42 107.4 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -46.89 168.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.43 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 p -76.71 -16.51 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 97.31 21.25 20.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -113.82 134.22 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.2 t -72.82 118.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.36 122.7 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 HD23 ' A' ' 95' ' ' LEU . 78.0 t -100.17 127.72 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.24 136.23 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.841 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -97.25 121.65 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -109.43 79.7 1.35 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.858 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.81 169.17 19.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 t -109.68 148.48 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.18 -2.12 23.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -119.68 38.83 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 m -147.49 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -122.75 94.87 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -124.37 138.53 54.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -132.94 123.77 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.628 HG22 HG23 ' A' ' 101' ' ' ILE . 77.7 t -120.91 135.79 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.94 25.47 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.32 -3.64 85.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -114.08 -179.83 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -90.69 129.64 36.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 76' ' ' PRO . 10.6 p -104.81 91.02 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -105.91 16.47 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -147.65 154.77 44.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 101.75 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.86 168.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -88.98 132.36 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -74.41 157.34 35.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -108.92 139.94 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -53.41 93.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.8 17.22 11.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.59 HD21 HD11 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -77.24 136.97 38.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -83.77 114.94 21.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' VAL . 9.5 mt -114.13 113.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 108' ' ' VAL . 4.1 mp -101.06 152.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.485 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 22.8 mtt -144.17 149.96 37.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.499 ' HA3' ' CD2' ' A' ' 107' ' ' HIS . . . 64.18 -87.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -132.51 -66.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.7 m-20 -125.25 9.99 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.619 ' CD2' HD11 ' A' ' 53' ' ' ILE . 1.6 m-70 -68.1 80.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 102' ' ' ILE . 2.2 t -97.57 154.65 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.78 144.66 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.717 ' HB2' HD22 ' A' ' 14' ' ' LEU . 15.2 ttm180 -96.43 114.22 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.471 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 38.7 t80 -83.93 97.41 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -89.16 114.77 26.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . 0.556 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 31.5 t-80 -119.57 79.16 21.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.9 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.571 0.7 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.71 135.72 31.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -158.4 154.45 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.59 130.67 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 129.06 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -81.13 77.63 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.789 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -78.76 6.15 9.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -49.63 178.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 9.0 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.832 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.21 -29.68 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.02 168.33 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.796 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.8 m-85 -138.27 128.57 26.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 25' ' ' LEU . 21.5 m-85 -88.52 129.35 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.7 mt -92.39 125.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.68 165.18 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.94 109.99 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.662 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 149.91 -130.09 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.662 HD12 ' C ' ' A' ' 31' ' ' GLY . 3.4 mp -128.83 123.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 45' ' ' ASP . 24.3 m -110.11 98.7 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.12 124.72 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.628 HG12 HD21 ' A' ' 48' ' ' LEU . 5.5 t -106.92 102.12 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.8 -130.2 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HA ' HG13 ' A' ' 47' ' ' VAL . 48.5 mm-40 -102.73 170.57 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.42 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -92.84 -17.41 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.45 149.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -45.71 25.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' GLN . 9.8 ttm180 -101.07 116.69 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -43.71 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 9.3 mm100 -68.15 128.87 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' CB ' HG23 ' A' ' 33' ' ' THR . 6.2 m-20 -52.62 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.0 mt -97.65 137.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.508 ' C ' HD13 ' A' ' 48' ' ' LEU . 3.8 t -123.86 133.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.875 HD23 HG21 ' A' ' 53' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.5 m80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.762 0.315 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.875 HG21 HD23 ' A' ' 48' ' ' LEU . 4.4 mm -96.12 155.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -117.6 152.07 35.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 6.6 mp0 -49.22 -36.1 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.91 42.57 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 9.3 t60 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 3.3 m -151.31 -177.16 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.1 mt -143.9 159.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.502 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 25.7 m-85 -130.79 110.13 11.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ttt-85 -101.35 124.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -112.61 105.68 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -133.99 142.8 47.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -82.55 115.31 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -53.29 164.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.64 -25.45 39.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -73.18 -27.14 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 20.83 7.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -110.96 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.76 116.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -117.79 147.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.635 HG12 HD23 ' A' ' 95' ' ' LEU . 37.8 t -120.62 135.69 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.2 m -123.53 133.3 54.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.4 tp -91.88 118.28 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.8 80.64 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.73 -176.53 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.84 178.77 4.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.07 -12.39 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -120.34 32.71 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.568 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 11.2 p -127.99 154.55 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.08 62.71 2.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.436 ' HB ' HG13 ' A' ' 89' ' ' VAL . 1.5 m -88.79 138.65 31.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -144.47 132.74 21.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' LYS . 30.5 t -120.85 147.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.48 30.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.85 -27.53 8.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' VAL . 49.8 pttt -87.04 170.61 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp85 -82.22 152.6 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 89' ' ' VAL . 11.7 p -137.61 104.36 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 p -116.74 3.07 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 164.5 43.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.69 2.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' C ' HG23 ' A' ' 73' ' ' THR . 18.4 m -136.78 151.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.01 135.54 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -79.22 178.08 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.46 157.98 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -70.67 73.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.67 29.35 0.98 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 2.8 p30 -88.91 144.12 26.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 115.66 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.42 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -110.13 119.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 108' ' ' VAL . 23.2 mt -105.37 119.09 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.494 ' SD ' HG11 ' A' ' 35' ' ' VAL . 19.2 mtt -118.36 102.05 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.9 -120.53 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -67.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -127.46 62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -132.85 88.98 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 102' ' ' ILE . 8.7 t -96.17 158.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.424 ' N ' HG12 ' A' ' 108' ' ' VAL . 86.2 m-85 -144.6 143.33 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HB2' HD22 ' A' ' 14' ' ' LEU . 6.9 tpt180 -106.98 116.4 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -79.81 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -103.86 105.12 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -110.96 77.37 1.39 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.7 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.525 0.679 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.74 130.7 19.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 25' ' ' LEU . 54.4 p-80 -156.77 154.16 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 60' ' ' PHE . 48.0 mt -99.21 138.1 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.0 135.26 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -78.86 77.44 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.4 pt? -78.03 5.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 108' ' ' VAL . 48.3 m-20 -51.97 176.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.55 -47.78 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -143.32 162.27 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.625 ' N ' HD12 ' A' ' 25' ' ' LEU . 70.4 m-85 -126.46 128.73 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 10' ' ' HIS . 23.4 m-85 -90.61 119.86 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 33' ' ' THR . 28.8 mt -92.76 127.18 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' NZ ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.59 173.37 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.16 83.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.28 -127.19 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.487 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 3.2 mm -129.78 116.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.763 HG23 ' HB3' ' A' ' 45' ' ' ASP . 86.7 m -105.46 95.5 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH1' ' NE2' ' A' ' 44' ' ' GLN . 10.2 mtm105 -72.26 117.99 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.94 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -98.74 113.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.32 -126.49 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.51 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.49 -22.21 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.54 142.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ALA . 8.2 mm-40 -34.87 -57.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -93.27 142.8 26.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -62.82 106.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' NE2' ' NH1' ' A' ' 34' ' ' ARG . 66.3 mm-40 -75.65 135.99 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.763 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.9 t0 -62.21 -54.22 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG12 ' CD2' ' A' ' 26' ' ' TYR . 33.5 mt -105.39 123.58 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.31 132.1 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.94 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 105' ' ' LYS . 64.0 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 107' ' ' HIS . 28.5 mm -67.94 154.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 53' ' ' ILE . 12.7 mmtp -118.65 154.68 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -58.02 -38.65 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.0 mt-10 -121.22 36.37 4.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 8.5 t60 -36.63 -68.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.424 ' C ' HG13 ' A' ' 59' ' ' ILE . 2.8 p -148.58 -175.25 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 60' ' ' PHE . 15.8 mt -149.86 165.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.545 ' N ' HG22 ' A' ' 59' ' ' ILE . 63.0 m-85 -138.08 106.88 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 46.9 ttt180 -102.39 114.39 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -103.57 110.58 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.09 140.43 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.15 109.59 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.0 t -49.71 171.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -63.48 -17.23 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -81.72 -14.91 55.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.8 15.11 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.4 131.78 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.42 108.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.03 148.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 95' ' ' LEU . 74.2 t -120.9 138.19 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.0 OUTLIER -120.65 135.66 55.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 HG21 ' A' ' 89' ' ' VAL . 15.9 tp -95.6 122.14 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -107.6 80.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.926 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.74 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.0 179.94 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.5 -10.74 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.78 36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 5.3 m -159.15 161.38 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -97.2 114.17 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -135.0 145.43 48.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -149.56 141.41 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.754 HG22 HG12 ' A' ' 101' ' ' ILE . 65.6 t -140.66 135.9 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 60.98 25.75 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.8 4.44 85.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -120.82 162.72 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -67.86 138.14 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.056 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -120.52 96.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -112.15 -22.84 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -106.27 154.98 39.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.488 ' C ' HG23 ' A' ' 73' ' ' THR . 35.6 m -115.49 156.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -85.07 107.16 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -46.48 171.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' ASN . 4.1 tpm_? -126.53 128.96 47.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ARG . 3.6 t -36.23 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.19 22.55 11.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.589 ' ND2' HD11 ' A' ' 101' ' ' ILE . 4.4 p-10 -72.64 134.44 45.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -89.14 109.21 20.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.754 HG12 HG22 ' A' ' 84' ' ' VAL . 15.7 mt -104.91 138.94 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mt -126.24 109.59 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 15.9 mtt -100.48 147.16 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.425 ' C ' ' HE2' ' A' ' 105' ' ' LYS . . . 47.8 -125.41 11.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -99.91 -75.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.29 45.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.454 ' CG ' HD11 ' A' ' 53' ' ' ILE . 7.6 m80 -117.05 60.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 101' ' ' ILE . 2.5 t -83.28 154.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.587 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 73.0 m-85 -152.26 139.74 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.552 ' HB2' HD22 ' A' ' 14' ' ' LEU . 24.0 ttt180 -107.72 118.93 38.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 81.0 t80 -79.93 101.78 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -86.45 131.26 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -141.18 80.52 16.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.554 0.692 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 12.5 p-80 -139.15 153.92 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -98.68 132.28 44.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -112.04 138.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.2 75.76 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -77.57 -1.44 30.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -62.53 -175.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 86.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.93 -36.05 56.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.33 162.52 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.636 ' N ' HD12 ' A' ' 25' ' ' LEU . 54.0 m-85 -136.18 135.39 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 25' ' ' LEU . 43.3 m-85 -92.75 134.02 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.7 mt -99.46 130.9 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -83.91 172.1 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.88 99.09 8.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.63 -122.71 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mm -128.22 122.81 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.7 m -111.73 104.46 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -80.55 107.76 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.848 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -89.89 121.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.08 -130.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 44.1 mt-30 -110.16 170.69 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -86.36 -24.36 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -59.91 -34.62 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.74 143.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.01 -41.62 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' ARG . 38.8 mmm-85 -113.26 115.39 28.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.0 tpt180 -34.94 127.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -90.75 136.78 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.789 ' HB3' HG23 ' A' ' 33' ' ' THR . 2.6 t70 -42.96 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mt -100.98 118.72 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 38' ' ' ALA . 6.6 t -105.8 115.09 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.848 HD21 HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.489 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 16.0 mm -72.11 151.29 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' CA ' HE21 ' A' ' 37' ' ' GLN . 18.7 mmmt -119.61 143.88 47.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.784 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -39.45 -42.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.9 mm-40 -119.82 44.19 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.3 t60 -36.81 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.431 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.7 p -142.64 -179.92 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 60' ' ' PHE . 11.0 mt -144.47 160.54 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 79.9 m-85 -136.18 117.96 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -99.9 105.34 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -104.61 90.99 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -126.25 146.75 49.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 15.0 ttm180 -80.27 104.24 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.6 t -41.71 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -53.35 -32.11 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -69.33 -24.19 63.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 107.51 16.01 14.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -108.0 126.95 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.76 132.61 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' ' CD ' ' A' ' 94' ' ' GLN . 6.6 mm -131.27 133.86 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 95' ' ' LEU . 41.6 t -117.27 111.79 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -110.48 125.94 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.915 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.0 tp -82.98 115.91 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.7 80.85 1.03 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.821 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.84 -175.99 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.33 178.94 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CG ' ' HG2' ' A' ' 79' ' ' ARG . 14.3 pt-20 -87.18 -40.63 14.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 78' ' ' GLU . 19.3 mmt85 -89.96 21.91 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -109.44 176.86 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 6.2 tt0 -123.38 54.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 1.3 m -91.96 148.35 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 60.8 m-85 -150.65 136.56 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 HG11 ' A' ' 89' ' ' VAL . 82.6 t -131.39 147.85 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 m120 56.13 30.16 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.49 2.66 69.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -117.73 174.59 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 10.1 tpt180 -80.07 143.79 33.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.821 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.5 p -132.18 104.15 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.1 t -107.1 -16.91 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -112.31 163.65 17.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.35 144.67 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.507 ' HA ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -80.01 109.39 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.5 mm? -48.34 151.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -115.15 132.59 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.0 t -43.67 107.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.43 38.08 5.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.58 ' OD1' HD12 ' A' ' 95' ' ' LEU . 2.8 p30 -109.79 141.85 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.664 ' NE ' HD11 ' A' ' 14' ' ' LEU . 6.8 mmt180 -89.63 133.42 34.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 mt -128.1 123.72 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 108' ' ' VAL . 53.7 mt -107.63 126.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.39 100.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.05 -101.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HD3' ' CD2' ' A' ' 52' ' ' HIS . 13.4 mmmt -120.8 -73.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 m120 -116.55 -0.47 12.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.42 ' CE1' ' H ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.81 78.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 102' ' ' ILE . 1.6 t -101.25 162.02 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 5.7 m-85 -158.83 161.6 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.808 ' HB2' HD22 ' A' ' 14' ' ' LEU . 52.4 ttm-85 -112.72 142.06 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.465 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 41.3 t80 -89.9 127.19 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.409 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.7 t-20 -109.72 128.06 55.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -138.23 72.32 45.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -123.48 104.03 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -93.87 -65.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.13 108.3 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -38.07 -47.54 1.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.929 0.395 . . . . 0.0 110.871 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -52.41 151.92 3.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.05 -79.47 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.59 154.36 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 111.118 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 117.37 5.05 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 25' ' ' LEU . 24.3 p-80 -137.24 150.6 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.2 mt -98.54 135.5 39.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.58 143.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.442 ' CG ' ' SD ' ' A' ' 20' ' ' MET . 32.1 t-20 -83.94 106.72 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.4 pt? -113.84 7.12 16.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -48.32 173.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -87.87 14.48 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -109.92 80.82 1.84 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.73 24.35 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -94.89 -10.89 29.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.442 ' SD ' ' CG ' ' A' ' 13' ' ' ASN . 8.7 ptt? -38.57 122.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 p -82.69 -4.81 58.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -79.84 174.73 11.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HG ' ' HE1' ' A' ' 26' ' ' TYR . 3.9 m -55.21 156.72 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.7 mm? -83.55 -38.45 21.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -145.06 174.5 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.896 ' N ' HD12 ' A' ' 25' ' ' LEU . 76.1 m-85 -144.52 121.66 11.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.813 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.2 m-85 -81.13 131.34 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -92.61 126.81 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -85.24 -174.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -88.35 123.38 32.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.777 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 134.71 -135.87 8.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.777 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.3 mp -116.03 119.95 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.881 HG23 ' HB3' ' A' ' 45' ' ' ASP . 20.7 m -107.86 96.92 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' HA ' HG23 ' A' ' 59' ' ' ILE . 40.2 mtt180 -73.65 126.98 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG12 HD21 ' A' ' 48' ' ' LEU . 4.9 t -106.48 102.3 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.04 -138.22 2.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -104.15 166.1 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.57 -1.2 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.88 -20.6 13.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.65 143.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -38.69 -43.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -108.42 162.82 13.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -77.54 109.22 11.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -77.9 130.94 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.881 ' HB3' HG23 ' A' ' 33' ' ' THR . 28.2 t0 -55.03 -40.22 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mt -124.38 136.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.21 137.11 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -110.28 161.82 15.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -97.94 176.43 5.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.57 -172.24 40.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.05 -7.5 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -79.29 9.53 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 48' ' ' LEU . 6.5 mm -102.1 157.23 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -123.69 153.71 40.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -53.52 -37.77 63.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -119.56 38.57 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -37.8 -70.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.432 ' C ' HG13 ' A' ' 59' ' ' ILE . 23.5 p -149.24 -176.12 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 60' ' ' PHE . 13.3 mt -144.63 158.68 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' ILE . 16.9 m-85 -128.12 109.43 11.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -100.61 124.49 46.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.481 ' OG ' HG22 ' A' ' 72' ' ' VAL . 15.4 m -121.46 107.01 11.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -137.86 145.35 42.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 17.0 ttm180 -80.31 104.13 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -41.06 158.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.77 -28.92 16.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -67.38 -29.08 68.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 112.0 17.9 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.428 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -110.92 139.42 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.59 116.17 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mm -117.83 151.04 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.481 HG22 ' OG ' ' A' ' 62' ' ' SER . 87.1 t -126.35 132.12 70.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -125.21 131.53 53.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.008 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.7 tp -89.35 124.31 34.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -111.73 80.59 2.97 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.679 0.752 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.865 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.83 -178.19 2.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.339 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -117.78 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -96.34 -14.15 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.79 31.47 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 87.6 p -133.57 149.51 51.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.57 99.16 11.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -128.65 135.51 49.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -132.02 133.76 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' GLY . 16.0 t -119.97 150.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.4 m120 40.01 25.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' VAL . . . 101.57 -40.56 2.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.498 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.7 ptmt -82.56 -174.69 5.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttt85 -86.98 167.23 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 76' ' ' PRO . 9.4 p -146.4 108.62 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.8 t -118.94 -18.03 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -108.68 156.46 38.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 93.61 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.649 2.232 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.452 ' C ' HG23 ' A' ' 73' ' ' THR . 33.2 m -116.72 156.56 17.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -78.02 141.3 38.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.7 mm? -88.53 153.6 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.25 171.62 7.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -82.66 105.08 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.88 3.29 32.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.599 ' OD1' HD12 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.55 145.32 52.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.347 . . . . 0.0 110.87 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HG2' HG13 ' A' ' 108' ' ' VAL . 16.0 ttp180 -96.06 110.84 23.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 103' ' ' MET . 6.6 mt -109.25 114.13 46.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.532 ' CG1' HG22 ' A' ' 108' ' ' VAL . 1.8 mp -105.3 140.71 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.498 ' CE ' HG22 ' A' ' 101' ' ' ILE . 1.6 mpt? -130.5 99.38 4.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.29 -106.04 1.95 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -121.57 -69.71 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -121.35 56.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -125.35 76.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.532 HG22 ' CG1' ' A' ' 102' ' ' ILE . 7.4 t -84.0 161.2 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 108' ' ' VAL . 33.2 m-85 -155.2 132.43 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 14' ' ' LEU . 32.5 ttt-85 -96.67 119.68 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.451 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 75.0 t80 -81.02 107.35 13.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -94.88 115.39 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 116' ' ' GLN . 2.0 t-80 -118.8 68.84 8.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -35.32 12.82 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -51.49 -45.48 62.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 0.1 OUTLIER -88.49 -43.79 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.42 -16.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -79.49 -31.95 42.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.12 -12.08 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -39.14 -36.75 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.6 mmm-85 -70.21 -56.27 7.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -42.19 -44.19 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -40.98 162.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.29 139.75 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.5 m -123.07 -44.78 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 127' ' ' PRO . . . -38.46 -63.64 0.95 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 126' ' ' GLY . 52.8 Cg_endo -69.84 164.8 33.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.9 p -121.43 142.42 50.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.3 m -119.91 177.67 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -39.51 114.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -124.73 -12.43 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.63 123.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -106.23 126.2 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -90.39 166.23 13.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' CG ' ' A' ' 115' ' ' GLU . . . -63.42 127.96 38.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.526 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.98 145.59 33.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.548 0.69 . . . . 0.0 111.103 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 137.17 35.0 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.399 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.499 ' CD2' HD21 ' A' ' 112' ' ' ASN . 45.0 p-80 -159.47 158.11 31.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 109' ' ' PHE . 4.1 mt -98.5 132.4 43.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG23 ' ND2' ' A' ' 112' ' ' ASN . 2.5 t -109.73 137.21 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 7.1 p-10 -72.02 66.35 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.959 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.2 pt? -70.74 0.07 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -55.29 -173.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 9.6 mt-10 -110.28 21.46 16.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.42 79.98 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 54.0 Cg_endo -69.8 -3.43 12.03 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.36 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.1 mt -95.18 -16.86 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 23' ' ' CYS . 23.2 ptm -35.67 122.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.2 t -87.08 -10.6 52.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -83.03 178.41 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 20' ' ' MET . 3.5 t -56.12 137.85 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' HA ' ' HE1' ' A' ' 20' ' ' MET . 3.8 mm? -73.84 -25.56 60.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -149.41 161.83 41.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.769 ' N ' HD12 ' A' ' 25' ' ' LEU . 46.7 m-85 -129.36 121.52 27.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 25' ' ' LEU . 22.8 m-85 -82.81 140.12 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.913 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.8 mt -111.48 154.87 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -130.73 -174.68 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.08 132.7 35.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.28 -130.65 6.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 10.7 mm -123.34 118.01 53.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 45' ' ' ASP . 23.7 m -110.51 94.27 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -75.1 133.94 41.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.056 HG12 HD21 ' A' ' 48' ' ' LEU . 4.6 t -111.89 94.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' O ' ' NE2' ' A' ' 37' ' ' GLN . . . -152.6 -128.92 1.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.564 ' HA ' HG13 ' A' ' 47' ' ' VAL . 17.7 mm-40 -116.11 175.31 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.99 -1.6 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -98.36 -25.11 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -42.08 141.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.8 mm-40 -35.78 -55.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 43' ' ' ARG . 5.3 mpt_? -105.5 121.99 45.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' ARG . 19.8 tpp180 -36.78 132.89 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -100.82 130.74 46.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.688 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.0 t70 -51.11 -51.31 54.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.8 mt -109.86 116.66 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG13 ' HA ' ' A' ' 37' ' ' GLN . 22.3 t -98.91 105.96 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.056 HD21 HG12 ' A' ' 35' ' ' VAL . 1.1 mm? -74.1 169.61 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.9 m -99.42 171.46 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.69 161.15 3.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.0 6.62 44.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -87.38 3.53 46.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.935 HD11 ' CD2' ' A' ' 107' ' ' HIS . 6.8 mm -105.2 104.16 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -54.07 138.57 37.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 3.4 pm0 -47.21 -28.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -130.04 44.85 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 6.9 t60 -43.86 -70.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 29.6 p -142.16 -176.07 4.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 22.8 mt -145.06 158.76 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 36.6 m-85 -131.59 108.43 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 16.0 ttt180 -100.55 136.12 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -131.38 108.94 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ARG . 23.7 tp10 -139.27 147.68 42.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 17.0 ttm180 -80.52 105.47 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 t -40.61 160.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.32 -19.79 24.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 t -78.82 -23.25 45.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.35 24.5 6.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG3' HD11 ' A' ' 71' ' ' ILE . 5.4 pt-20 -118.32 136.96 53.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.915 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.9 t -74.88 116.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' A' ' 69' ' ' GLU . 10.0 mm -118.69 154.78 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 95' ' ' LEU . 58.1 t -126.36 129.31 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 m -124.46 130.93 53.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.883 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -90.78 122.06 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.41 80.11 1.43 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.844 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.82 175.08 8.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.67 2.246 . . . . 0.0 112.346 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.0 t -121.44 150.86 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -77.96 5.53 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -121.08 17.42 11.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.03 178.0 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.553 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.9 tt0 -116.75 79.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -103.04 148.53 25.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.497 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 84.6 m-85 -146.75 120.26 9.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.605 HG21 HD22 ' A' ' 74' ' ' LEU . 44.2 t -122.18 137.59 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.493 HD22 HG12 ' A' ' 84' ' ' VAL . 2.4 m-80 61.4 32.8 18.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.41 1.77 66.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -120.38 176.36 5.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 83' ' ' TYR . 6.8 tpt180 -86.83 139.55 30.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -123.09 107.76 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -110.98 -20.09 12.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -109.27 158.0 35.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 108.16 2.02 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 34.3 m -131.44 159.99 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -77.62 143.48 38.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.883 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.3 mm? -85.87 154.51 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.1 tpp180 -103.92 129.23 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 t -45.41 90.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 105.59 38.64 2.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 6.2 p30 -98.1 146.3 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.464 ' NH1' HG11 ' A' ' 108' ' ' VAL . 38.1 mtp85 -82.26 120.54 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.524 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.5 mt -120.66 122.21 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.756 HG12 HG22 ' A' ' 108' ' ' VAL . 16.9 mt -111.65 134.7 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.524 ' SD ' HG22 ' A' ' 101' ' ' ILE . 1.1 mpt? -132.89 98.25 4.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.523 ' HA3' HD13 ' A' ' 53' ' ' ILE . . . 92.64 -115.73 4.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -132.16 131.9 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.4 41.45 16.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.935 ' CD2' HD11 ' A' ' 53' ' ' ILE . 21.5 m-70 -127.47 53.2 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.756 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -95.01 126.66 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.547 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -124.44 165.3 18.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.959 ' HB2' HD22 ' A' ' 14' ' ' LEU . 7.1 tpt180 -108.63 113.84 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.444 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 66.3 t80 -79.88 101.57 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.499 HD21 ' CD2' ' A' ' 10' ' ' HIS . 1.5 p30 -92.83 163.03 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 17.8 t-80 -159.09 73.92 3.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 2.36 3.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.283 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.9 mm-40 -86.77 -46.15 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.94 -39.46 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.71 -24.66 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -61.18 -39.32 89.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.07 -30.22 18.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.0 -31.56 18.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.2 mmm-85 -69.19 -31.3 69.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -71.44 -16.52 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 124' ' ' THR . 16.5 tttm -88.4 151.35 22.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.474 ' N ' ' HG3' ' A' ' 123' ' ' LYS . 1.3 t -97.32 148.06 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.206 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.9 t -101.82 177.95 4.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -166.34 75.63 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -46.78 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.724 2.283 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t -86.56 137.36 32.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.4 t 50.12 38.18 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -146.06 149.68 34.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -97.9 177.55 5.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.3 63.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -115.29 -20.93 10.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.809 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -103.84 28.23 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.6 166.02 10.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.33 148.73 0.9 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.553 0.692 . . . . 0.0 111.122 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.84 15.15 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' CD2' HD13 ' A' ' 25' ' ' LEU . 26.3 p-80 -151.73 158.93 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 60' ' ' PHE . 41.0 mt -105.73 126.88 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 112' ' ' ASN . 1.5 t -99.08 136.69 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 10.3 t-20 -82.74 76.9 9.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.4 pt? -76.51 6.74 5.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 108' ' ' VAL . 1.0 OUTLIER -48.36 177.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -98.68 7.09 46.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -107.44 80.8 0.95 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.13 6.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.9 mt -101.54 -15.16 17.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.486 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 ptt? -34.54 123.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.2 t -66.57 -10.32 44.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -78.35 176.24 9.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t -71.44 152.22 43.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.65 -38.37 90.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.858 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.59 174.17 11.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.858 ' N ' HD12 ' A' ' 25' ' ' LEU . 37.2 m-85 -134.84 121.51 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 mt -80.9 120.49 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.94 175.58 10.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.88 94.13 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 171.78 -139.14 5.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.665 HD11 ' NH1' ' A' ' 61' ' ' ARG . 3.0 mp -120.21 103.01 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.819 HG23 ' HB3' ' A' ' 45' ' ' ASP . 21.2 m -94.69 94.44 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 59' ' ' ILE . 91.2 mtt180 -64.01 145.06 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG21 ' CE2' ' A' ' 60' ' ' PHE . 5.3 t -118.47 108.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -144.48 4.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -98.63 161.12 13.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.92 74.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -63.66 -18.95 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -44.98 142.76 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ALA . 6.1 mt-10 -35.61 -58.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.14 -179.72 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -97.37 100.69 12.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -76.52 123.75 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.819 ' HB3' HG23 ' A' ' 33' ' ' THR . 6.0 t0 -54.45 -49.78 69.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.41 121.63 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.82 124.74 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -103.31 174.03 6.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 t -55.95 172.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.06 46.42 1.15 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.29 -66.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' ND1' ' NZ ' ' A' ' 105' ' ' LYS . 34.1 m170 -125.74 33.22 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.444 ' C ' ' HD2' ' A' ' 54' ' ' LYS . 11.1 mm -104.22 155.33 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 5.7 mptt -110.16 143.77 39.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -49.91 -38.26 35.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 77.1 mt-10 -128.17 39.77 3.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 7.6 t60 -34.97 -70.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 26.5 p -142.65 179.63 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.8 mt -142.01 152.33 18.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 35' ' ' VAL . 51.3 m-85 -116.78 112.77 21.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.665 ' NH1' HD11 ' A' ' 32' ' ' ILE . 35.5 ttm-85 -106.51 122.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.5 p -108.23 106.53 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -131.44 134.21 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 9.2 ttm180 -80.38 105.18 11.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.7 t -40.67 153.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -48.27 -25.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.5 p -71.2 -34.8 71.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 119.64 16.66 4.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' CD ' HD11 ' A' ' 71' ' ' ILE . 5.8 pt-20 -109.55 134.29 52.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.3 t -71.7 116.87 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.9 mm -120.2 133.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 95' ' ' LEU . 53.2 t -107.02 137.95 35.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -125.38 136.05 53.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.912 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -94.57 123.48 38.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -110.13 80.68 1.92 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.674 0.749 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.804 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.74 155.89 64.81 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 t -84.07 167.03 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.91 -5.43 56.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -125.91 23.43 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -124.57 168.69 12.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.439 ' O ' ' NE2' ' A' ' 57' ' ' HIS . 5.2 mp0 -111.61 103.95 12.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.599 HG21 HD21 ' A' ' 74' ' ' LEU . 6.2 m -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 88' ' ' ARG . 94.0 m-85 -129.44 122.29 29.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 101' ' ' ILE . 21.7 t -116.66 129.83 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 57.88 30.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.33 -32.65 5.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -84.2 175.75 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -95.62 132.33 40.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.804 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.1 p -110.39 117.89 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -123.13 -14.86 7.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -114.72 160.62 32.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 95.62 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -116.99 158.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -81.61 135.36 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.912 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -81.52 146.99 29.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 97' ' ' SER . 9.0 tpp180 -99.31 125.36 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 96' ' ' ARG . 40.2 t -36.15 99.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 96.46 42.98 3.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.929 HD21 HD11 ' A' ' 101' ' ' ILE . 4.5 p-10 -98.57 137.82 36.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.65 ' HG2' HG11 ' A' ' 108' ' ' VAL . 15.2 ttp180 -82.4 111.92 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.929 HD11 HD21 ' A' ' 99' ' ' ASN . 6.5 mt -116.25 124.79 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.823 HG12 HG22 ' A' ' 108' ' ' VAL . 17.4 mt -117.81 125.81 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' HG11 ' A' ' 35' ' ' VAL . 7.2 mtt -106.49 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.78 -74.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 18.7 mmtm -80.57 -173.01 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.746 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.0 p-10 -78.17 9.53 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -63.81 74.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.823 HG22 HG12 ' A' ' 102' ' ' ILE . 0.9 OUTLIER -90.99 135.1 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CB ' HD22 ' A' ' 11' ' ' LEU . 98.5 m-85 -121.8 151.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.788 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.9 ttp180 -100.78 122.42 43.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 38.0 t80 -79.52 97.78 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.554 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 2.7 m120 -84.82 136.16 33.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -150.01 72.57 9.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 0.32 5.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -82.51 -47.16 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 5.6 tp-100 -83.91 -45.64 12.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.55 -30.0 7.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -35.11 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.05 -22.79 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.98 -36.1 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -69.66 -49.5 53.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -51.8 -40.31 60.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -65.19 148.69 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.5 t -52.85 -177.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -172.09 163.18 5.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.428 ' N ' ' HD2' ' A' ' 127' ' ' PRO . . . 164.35 -61.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 126' ' ' GLY . 53.9 Cg_endo -69.71 144.61 54.86 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 p -67.25 116.89 8.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.4 p -121.74 134.49 54.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -52.53 174.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.819 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -158.99 109.38 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.98 88.3 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -103.29 125.31 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -109.02 38.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.81 98.53 1.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.9 m -125.88 139.18 33.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.572 0.701 . . . . 0.0 111.124 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.8 Cg_endo -69.72 113.26 3.31 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CD2' HD13 ' A' ' 25' ' ' LEU . 52.9 p-80 -140.01 150.52 44.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.24 136.01 44.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.36 139.9 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 16.5 t-20 -91.63 101.63 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.817 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.3 pt? -105.66 7.06 32.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -44.18 168.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -80.48 6.75 11.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.77 80.15 0.95 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.55 0.691 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -6.16 17.91 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.0 mt -102.7 -2.18 28.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.464 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 5.6 ptt? -35.7 114.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -60.69 -10.16 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.06 178.05 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 26' ' ' TYR . 9.0 p -61.24 166.62 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD13 ' CE ' ' A' ' 20' ' ' MET . 2.3 mm? -86.44 -32.99 20.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.42 161.91 39.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' N ' HD12 ' A' ' 25' ' ' LEU . 11.0 m-85 -118.62 127.39 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.518 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.9 m-85 -95.12 98.93 11.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 29' ' ' LYS . 8.7 mt -66.57 160.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' N ' HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -127.99 -174.38 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.15 123.93 29.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.12 -137.91 9.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.0 114.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 45' ' ' ASP . 34.0 m -104.23 98.65 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -75.91 133.93 40.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.003 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -112.55 131.91 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.42 -134.92 2.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -99.27 168.58 9.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.959 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.96 37.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -83.55 -24.62 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -40.56 136.19 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' ALA . 5.6 mm-40 -35.13 -58.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 42' ' ' ARG . 3.8 mpt_? -91.49 107.79 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -37.99 105.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 50.0 mm-40 -67.61 123.95 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.799 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.5 t70 -49.04 -44.7 41.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.4 115.95 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 t -101.19 127.06 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.003 HD21 HG12 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -93.29 155.14 17.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 t -108.42 68.86 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -128.29 -162.1 10.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.06 -34.92 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.11 3.86 44.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.9 mm -67.38 145.77 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.83 157.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -48.04 -43.74 30.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' HIS . 79.7 mt-10 -122.18 42.27 3.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.7 t60 -34.6 -68.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 19.4 p -143.02 178.57 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -139.94 153.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -127.43 108.64 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -100.74 136.47 40.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 t -125.1 108.11 11.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.803 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -134.34 144.22 48.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.908 ' NH1' HG23 ' A' ' 70' ' ' VAL . 16.5 ttm-85 -80.44 106.54 12.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.4 t -41.59 157.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -55.37 -18.74 7.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -79.68 -23.33 42.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.67 18.99 9.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -113.78 132.06 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.959 0.409 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' NH1' ' A' ' 64' ' ' ARG . 54.7 t -68.99 126.74 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.2 mm -129.92 153.67 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG12 HD23 ' A' ' 95' ' ' LEU . 83.5 t -122.64 140.33 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.56 138.88 52.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 89' ' ' VAL . 6.3 tp -97.47 116.46 29.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.2 79.83 1.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.661 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.3 Cg_endo -69.81 175.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.2 t -113.18 154.31 26.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -71.76 -28.94 63.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -93.78 8.96 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 93.4 p -111.75 -177.91 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -134.08 113.31 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.525 HG21 HD21 ' A' ' 74' ' ' LEU . 7.3 m -138.72 150.33 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 97.9 m-85 -142.87 122.9 13.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.714 HG22 HG12 ' A' ' 101' ' ' ILE . 6.5 t -112.49 123.16 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.6 m120 61.33 35.97 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.74 -38.81 3.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -71.45 -176.27 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.74 0.305 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' HG2' ' CE1' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -104.83 138.74 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 74' ' ' LEU . 12.5 p -117.01 105.77 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 t -117.7 -2.36 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -127.04 157.98 70.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.15 161.38 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -81.25 141.8 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.731 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.72 153.8 21.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' GLY . 1.8 tmm_? -106.98 122.09 45.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 t -42.25 94.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 112.04 35.47 1.81 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 111' ' ' PHE . 2.3 p30 -107.5 144.0 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.576 ' NH2' HD11 ' A' ' 102' ' ' ILE . 1.1 mtp-105 -85.63 114.84 22.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.714 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -114.78 107.25 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.725 HG13 HG22 ' A' ' 108' ' ' VAL . 5.0 mp -92.79 144.05 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.6 mpt? -126.21 99.05 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' HE2' ' A' ' 57' ' ' HIS . . . 66.82 -77.45 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 102' ' ' ILE . 1.3 mmpt? -87.15 -175.53 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -76.19 49.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -106.71 80.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 102' ' ' ILE . 1.4 t -84.13 150.33 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.424 ' CE1' ' SD ' ' A' ' 103' ' ' MET . 60.3 m-85 -133.82 142.48 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.4 ttp85 -97.13 112.28 24.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' GLY . 61.3 t80 -80.12 111.76 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -102.86 118.95 37.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.427 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 2.0 t-80 -124.3 78.75 60.68 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -37.57 8.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -59.47 4.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.9 -40.08 94.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.69 -27.27 49.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -57.19 -24.78 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.9 -38.9 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -50.02 -46.33 52.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -58.06 -32.98 68.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.5 5.28 18.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -42.79 -55.35 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 7.0 p -92.92 106.35 18.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 53.7 p -97.13 104.19 16.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.576 ' N ' ' CD ' ' A' ' 127' ' ' PRO . . . -141.9 44.75 0.98 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.44 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 126' ' ' GLY . 54.1 Cg_endo -69.75 -1.36 8.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.298 . . . . 0.0 112.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.8 t 45.96 41.63 8.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.6 m -71.84 76.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -147.09 111.59 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -96.81 87.28 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.41 60.57 0.91 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -77.26 80.04 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' GLY . 73.7 m -75.6 77.11 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.66 46.18 0.81 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.67 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m -61.29 139.25 94.67 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.542 0.687 . . . . 0.0 111.165 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 24.6 p-80 -160.26 154.54 23.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.1 mt -102.1 126.06 48.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -101.92 131.98 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 50.9 t-20 -77.11 104.12 7.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -109.65 1.88 19.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -46.12 165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -78.28 6.87 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.46 80.45 0.91 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.14 3.81 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.6 mt -108.93 -13.14 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.46 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -35.57 123.05 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.4 t -69.76 -2.68 12.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -73.21 167.59 20.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 8.0 m -68.12 128.15 35.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' CE ' ' A' ' 20' ' ' MET . 6.1 mt -39.59 -53.02 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -142.9 167.45 22.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.746 ' N ' HD12 ' A' ' 25' ' ' LEU . 38.8 m-85 -132.56 142.43 49.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 25' ' ' LEU . 27.2 m-85 -99.3 106.99 19.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -69.01 127.4 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -84.46 176.32 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -83.36 128.36 34.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 131.88 -119.9 2.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.574 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . 4.4 mm -127.75 122.62 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.906 0.384 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.593 HG23 ' HB3' ' A' ' 45' ' ' ASP . 61.3 m -119.27 94.34 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -78.41 127.87 32.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 60' ' ' PHE . 3.0 t -99.34 100.65 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.09 -140.53 3.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -100.57 170.3 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -85.27 -11.63 54.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 24.0 t0 -92.0 -25.37 18.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.7 143.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ALA . 4.0 mt-10 -37.15 -57.91 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 mmp_? -92.74 144.6 25.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -62.0 96.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -61.13 126.13 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.593 ' HB3' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -47.34 -54.79 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.2 mt -113.23 120.56 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 38' ' ' ALA . 49.8 t -101.55 111.4 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 109' ' ' PHE . 4.4 mm? -77.34 169.38 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -110.62 102.26 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.47 126.68 0.96 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.29 -30.27 50.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -56.41 -48.99 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -43.25 116.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -72.11 142.25 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -44.75 -34.24 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -131.78 53.87 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -51.17 -70.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.5 p -146.82 -178.82 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 60' ' ' PHE . 35.3 mt -141.77 158.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 35' ' ' VAL . 40.8 m-85 -128.73 107.75 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -99.43 127.86 45.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 t -117.91 104.59 11.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -133.8 141.76 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 20.9 ttp180 -80.52 122.89 27.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -62.1 -175.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -71.69 -14.32 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 t -95.79 5.44 51.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 78.25 13.52 83.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.5 pt-20 -96.91 121.74 39.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.9 t -68.1 113.75 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -110.5 140.82 27.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.809 HG12 HD23 ' A' ' 95' ' ' LEU . 76.9 t -115.25 134.08 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -127.04 140.41 52.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.884 HD22 HG21 ' A' ' 84' ' ' VAL . 6.4 tp -101.93 127.27 48.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.66 80.77 5.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.5 Cg_endo -69.82 171.26 14.86 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -92.12 179.23 5.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -93.21 -27.52 16.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -121.97 40.41 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.4 p -120.5 162.94 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -98.81 73.82 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -112.61 151.9 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 58.5 m-85 -154.72 126.77 7.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.884 HG21 HD22 ' A' ' 74' ' ' LEU . 3.0 t -131.49 144.44 37.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 73.31 28.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.77 68.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -132.9 -175.04 3.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 19.6 ttp180 -76.38 148.09 37.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 15.0 p -127.2 99.29 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 m -113.91 15.54 18.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -146.85 153.58 46.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 103.25 1.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.465 ' C ' HG23 ' A' ' 73' ' ' THR . 32.2 m -118.89 154.63 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -82.92 99.31 9.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.874 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.2 mm? -38.75 142.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -104.3 132.24 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.0 t -42.85 104.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.8 26.42 10.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.464 ' ND2' HG12 ' A' ' 101' ' ' ILE . 3.6 p-10 -80.82 145.85 31.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -90.19 120.45 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.72 HG23 ' CG2' ' A' ' 84' ' ' VAL . 3.6 mt -116.38 145.3 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 108' ' ' VAL . 21.3 mt -142.71 141.06 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -136.49 151.45 49.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 105' ' ' LYS . . . 35.16 -103.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 6.6 mptt -147.21 137.68 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.47 27.45 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 105' ' ' LYS . 21.2 m80 -119.13 50.41 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.52 HG22 HG12 ' A' ' 102' ' ' ILE . 7.7 t -83.28 152.4 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 48' ' ' LEU . 98.9 m-85 -152.95 144.85 23.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -106.02 136.41 45.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' CB ' ' OD1' ' A' ' 99' ' ' ASN . 39.1 t80 -88.75 125.0 34.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.548 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.0 t-20 -116.31 103.07 10.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.558 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 9.0 t-80 -119.73 78.6 22.44 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.558 0.694 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.38 5.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.485 ' O ' ' CD ' ' A' ' 118' ' ' ARG . 5.3 tt0 -86.23 -47.19 9.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.82 -36.68 56.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.26 -14.19 4.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -73.11 -21.41 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 121' ' ' ARG . . . -82.99 -21.58 33.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -41.38 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' CG ' ' N ' ' A' ' 122' ' ' GLU . 21.1 ptt85 -79.35 -49.2 12.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 121' ' ' ARG . 4.2 pt-20 -59.92 -42.88 94.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 122' ' ' GLU . 7.3 pttp -71.85 173.83 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.8 m -87.67 147.75 25.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.25 119.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -147.72 -170.97 16.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 153.42 68.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.7 p -95.26 178.23 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.3 p -113.75 98.35 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -157.99 145.86 18.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.85 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -102.07 175.4 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.11 98.59 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -124.89 111.17 15.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -133.1 148.0 52.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.59 134.18 11.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.1 m -142.48 139.22 17.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.556 0.694 . . . . 0.0 111.142 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.8 128.87 16.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -150.02 151.35 33.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.0 mt -101.22 136.66 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.43 151.01 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -90.41 75.64 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.812 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.5 pt? -78.69 6.78 8.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.543 ' H ' ' ND2' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -48.63 177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 7.1 pt-20 -88.02 5.62 40.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -107.48 80.55 0.93 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.7 Cg_endo -69.78 -6.8 19.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' MET . 4.4 mt -108.64 -9.67 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -34.56 122.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 p -71.78 -1.85 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -85.72 169.85 13.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 89.0 m -50.9 148.49 4.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD13 ' HE3' ' A' ' 20' ' ' MET . 1.3 mm? -87.37 -42.25 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.43 162.12 38.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.633 ' N ' HD12 ' A' ' 25' ' ' LEU . 59.7 m-85 -132.16 124.76 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -82.81 106.88 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mt -69.12 122.87 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -86.27 159.33 19.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.39 76.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . . . -172.04 -125.05 0.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 2.8 mm -131.88 112.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 ' CB ' ' A' ' 45' ' ' ASP . 54.4 m -96.97 94.25 7.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.643 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.8 mtt85 -65.51 126.35 28.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.2 t -111.67 93.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' O ' HD22 ' A' ' 48' ' ' LEU . . . -166.12 -138.58 2.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.479 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -91.2 163.16 14.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.336 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.73 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -88.77 -25.01 22.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 40' ' ' ALA . 59.0 m-20 -75.32 -20.17 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.28 152.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -34.46 -40.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -121.51 178.46 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ttt85 -88.07 116.45 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -86.5 158.12 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.526 ' CB ' HG23 ' A' ' 33' ' ' THR . 1.6 m-20 -70.67 -63.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -100.02 108.77 23.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.73 HG11 ' HB2' ' A' ' 38' ' ' ALA . 12.3 t -92.57 122.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -98.83 178.53 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.8 t -120.91 179.07 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.76 -173.48 36.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.28 -8.27 10.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -89.62 39.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.575 HG22 ' N ' ' A' ' 54' ' ' LYS . 3.3 mm -134.58 162.06 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' N ' HG22 ' A' ' 53' ' ' ILE . 42.0 mmtt -122.16 151.66 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -39.15 -45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.8 mm-40 -122.23 39.69 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 8.7 t60 -34.55 -35.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.561 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.8 t -172.22 -179.74 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.703 ' O ' HD12 ' A' ' 74' ' ' LEU . 13.0 mt -156.44 168.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 101' ' ' ILE . 28.0 m-85 -139.42 106.72 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.721 ' O ' HG13 ' A' ' 72' ' ' VAL . 33.9 ttt-85 -99.57 136.08 40.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -128.98 126.5 39.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -157.9 143.38 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -80.43 130.88 35.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 t -70.13 177.73 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -67.46 -9.01 37.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.6 p -100.53 0.36 39.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.25 3.3 84.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 69' ' ' GLU . 4.7 pt-20 -86.93 119.85 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG12 ' HE2' ' A' ' 113' ' ' HIS . 75.3 t -66.15 108.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.44 HD11 ' CD ' ' A' ' 69' ' ' GLU . 2.8 mm -109.36 145.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 61' ' ' ARG . 16.1 t -124.04 145.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 93' ' ' VAL . 0.5 OUTLIER -134.28 132.99 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.161 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.952 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.6 tp -96.91 140.91 30.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -125.03 81.97 62.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.669 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.79 146.99 61.71 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -67.33 -179.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -91.55 124.9 36.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 65.8 27.16 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 p -89.51 -174.49 4.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.55 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -115.45 78.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.528 HG21 ' SG ' ' A' ' 58' ' ' CYS . 1.3 m -132.19 122.95 26.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.127 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -123.14 130.96 53.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 87' ' ' LYS . 55.7 t -116.74 128.71 74.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 63.36 25.02 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.79 -28.38 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 84' ' ' VAL . 14.0 pttt -92.68 171.3 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 89' ' ' VAL . 7.3 tpt180 -84.63 147.23 27.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 89' ' ' VAL . 13.3 p -124.91 106.68 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 t -120.2 16.45 12.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.3 pt20 -142.54 155.38 63.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 94.34 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.295 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.614 HG13 ' HG2' ' A' ' 91' ' ' GLN . 32.6 m -118.58 167.94 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -86.65 141.24 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.952 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.4 mm? -87.51 161.59 17.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NH1' ' OE1' ' A' ' 116' ' ' GLN . 2.1 mmp_? -119.14 163.95 16.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.9 t -72.21 109.6 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.71 10.49 57.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.478 ' OD1' ' CG1' ' A' ' 101' ' ' ILE . 2.6 p30 -67.34 130.64 43.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -82.1 117.56 22.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.735 HD13 ' CZ ' ' A' ' 60' ' ' PHE . 15.5 mt -114.82 113.22 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.1 mt -102.91 122.45 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.451 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -115.33 145.77 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 50.75 -116.9 4.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -116.97 -71.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -107.26 45.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 48' ' ' LEU . 36.5 m-70 -125.28 58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 109' ' ' PHE . 8.1 t -83.7 159.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 108' ' ' VAL . 85.7 m-85 -154.9 144.82 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.746 ' HB2' HD22 ' A' ' 14' ' ' LEU . 34.8 ttm180 -112.47 128.02 56.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.591 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 43.0 t80 -83.21 138.14 33.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -124.05 104.1 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.591 ' CE1' ' OE1' ' A' ' 115' ' ' GLU . 8.0 t-80 -113.48 79.33 4.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 1.2 4.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' OE1' ' CE1' ' A' ' 113' ' ' HIS . 16.0 mp0 -83.5 -52.2 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.513 HE21 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -68.16 -45.56 73.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.513 ' N ' HE21 ' A' ' 116' ' ' GLN . . . -58.3 -11.29 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.449 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -73.55 -31.41 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 122' ' ' GLU . . . -85.7 -10.48 55.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -43.48 -43.49 5.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -76.94 -25.06 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' ALA . 43.5 mm-40 -79.98 -1.79 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -46.48 170.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 65.1 m -62.26 119.16 8.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 p -109.6 87.99 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -110.53 78.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 158.83 55.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.364 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.3 t -106.05 -37.66 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 t -109.24 98.94 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -85.73 132.56 34.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.391 . . . . 0.0 110.795 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -162.37 166.79 24.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.41 -130.44 2.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -94.17 -177.53 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 38.7 m -56.27 160.64 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.833 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.08 71.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.554 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.68 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -76.09 139.24 68.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.596 0.713 . . . . 0.0 111.172 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.75 144.27 53.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 44.4 p-80 -161.19 153.38 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.603 HD11 HD11 ' A' ' 28' ' ' ILE . 6.2 mt -108.0 130.58 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.5 144.99 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 36.3 t-20 -90.08 75.39 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.771 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -77.27 6.22 7.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.96 164.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -84.16 3.63 34.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -107.6 80.12 0.9 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.72 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -6.51 18.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.5 mt -95.39 -13.63 24.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 7.6 ptt? -36.62 122.63 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.9 m -75.5 3.38 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 51.3 mp0 -87.43 -175.99 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.5 m -67.87 145.92 54.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 4.0 mm? -72.36 -41.5 66.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.94 163.45 35.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 73.4 m-85 -128.4 121.95 30.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD1' HD11 ' A' ' 25' ' ' LEU . 33.5 m-85 -81.28 114.25 19.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 11' ' ' LEU . 2.2 mt -79.89 107.6 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -101.64 77.99 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.801 ' C ' HD12 ' A' ' 32' ' ' ILE . . . -179.0 -118.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.801 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -115.53 125.35 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' CG ' ' A' ' 45' ' ' ASP . 98.1 m -126.33 99.09 5.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' HA ' HG23 ' A' ' 59' ' ' ILE . 44.9 mtt180 -83.87 130.92 34.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 60' ' ' PHE . 14.9 t -107.24 104.0 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.94 -142.97 3.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -102.57 162.48 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.1 -19.28 64.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.6 m-20 -68.94 -38.61 79.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 55' ' ' GLU . . . -34.1 133.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.4 mt-10 -35.04 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ALA . 13.4 mmt180 -119.97 104.7 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 54.0 ttt180 -34.99 98.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 7.6 mm100 -54.07 166.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.696 ' CG ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -76.28 -55.21 5.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.637 HG22 HD21 ' A' ' 48' ' ' LEU . 8.9 mt -107.51 114.21 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.603 ' C ' HD22 ' A' ' 48' ' ' LEU . 10.1 t -87.36 124.41 40.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -109.42 162.02 14.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.6 m -105.88 159.42 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.37 167.96 20.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.463 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.87 -36.71 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -53.89 -17.71 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -79.27 149.1 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -119.97 149.97 41.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 4.9 pm0 -46.77 -34.58 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -129.17 39.79 3.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 11.5 t60 -38.96 -42.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' C ' HG13 ' A' ' 59' ' ' ILE . 4.0 t -167.36 175.39 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.605 HG22 ' N ' ' A' ' 60' ' ' PHE . 25.1 mt -144.96 166.49 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.83 ' CE2' HG21 ' A' ' 35' ' ' VAL . 80.2 m-85 -137.04 109.46 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' HG13 ' A' ' 72' ' ' VAL . 15.0 ttm180 -102.01 129.5 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.3 m -124.09 112.53 17.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 2.4 tm-20 -142.7 144.51 32.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -80.53 125.33 29.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -64.39 -179.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -68.76 -20.34 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -86.05 -2.63 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.35 6.28 78.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 71' ' ' ILE . 3.5 pt-20 -91.84 126.62 36.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 47.5 t -66.54 100.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 69' ' ' GLU . 10.6 mm -103.09 124.46 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 61' ' ' ARG . 67.2 t -108.72 142.25 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.6 m -131.56 151.14 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.746 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -102.13 153.26 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.59 80.89 13.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.952 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.544 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.73 -179.11 2.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.25 171.3 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -89.66 -28.18 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -100.39 26.43 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.9 m -132.06 169.74 15.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -119.94 89.4 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -107.48 140.36 40.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.507 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 97.8 m-85 -133.25 126.21 31.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 87' ' ' LYS . 20.7 t -115.06 127.66 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.71 28.42 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.44 -24.05 24.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 84' ' ' VAL . 30.0 pttt -96.75 167.46 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 37.2 ttp180 -77.48 160.59 28.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 89' ' ' VAL . 13.3 p -144.37 111.78 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 p -115.84 -18.37 10.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -112.37 155.68 43.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.563 0.697 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 111.85 2.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.459 ' C ' HG23 ' A' ' 73' ' ' THR . 21.9 m -131.11 156.19 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -75.66 119.96 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.7 mm? -64.53 153.28 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -106.99 140.5 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 t -57.23 92.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.83 29.24 2.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.546 HD21 HD11 ' A' ' 101' ' ' ILE . 6.2 p-10 -96.65 133.94 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -82.39 115.48 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.661 HD13 ' CE1' ' A' ' 60' ' ' PHE . 6.9 mt -108.82 116.72 52.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.593 HG13 HG13 ' A' ' 108' ' ' VAL . 4.8 mp -105.26 155.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.3 mpt? -140.87 105.52 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.74 29.09 73.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt 44.0 34.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -125.72 -32.29 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CG ' HD12 ' A' ' 48' ' ' LEU . 71.9 m-70 -127.68 131.94 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.593 HG13 HG13 ' A' ' 102' ' ' ILE . 15.0 t -128.6 114.94 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 107' ' ' HIS . 19.2 m-85 -121.21 154.74 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.58 ' HB2' HD22 ' A' ' 14' ' ' LEU . 12.8 tpp85 -112.1 132.15 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -79.46 132.97 36.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.0 t-20 -118.62 110.89 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 15.2 t-80 -124.93 80.73 63.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -23.78 30.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -62.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ARG . 4.9 tp-100 -61.3 -46.41 90.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.01 -26.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 5.6 ptm180 -62.36 -46.15 89.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 118' ' ' ARG . . . -84.71 -10.98 56.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' CG ' ' HG3' ' A' ' 116' ' ' GLN . 8.2 mm-40 -76.21 -24.8 54.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.55 -41.02 6.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 123' ' ' LYS . 13.2 pt-20 -43.28 -42.59 4.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -35.51 143.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 124' ' ' THR . 91.2 m 41.15 42.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 p -65.74 112.9 3.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -46.78 154.49 0.89 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.12 22.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.314 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 9.7 t -67.03 -51.89 49.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.1 m -63.11 152.33 37.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 t -67.66 123.93 21.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -86.89 107.9 18.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.72 -69.63 1.38 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 56.12 40.97 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -106.4 101.61 11.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.74 142.02 3.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.679 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -132.88 139.2 33.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.145 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.77 139.88 41.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 30.4 p-80 -158.38 150.56 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.626 HD11 ' CE2' ' A' ' 60' ' ' PHE . 83.7 mt -98.33 135.04 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.21 127.14 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.704 ' OD1' ' HE2' ' A' ' 20' ' ' MET . 0.1 OUTLIER -66.35 74.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.797 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.46 7.26 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -52.48 -175.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 3.8 pt-20 -107.44 7.69 29.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -107.45 81.17 1.02 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.7 Cg_endo -69.77 -3.48 12.09 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.697 2.264 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.9 mt -95.33 -20.3 19.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.704 ' HE2' ' OD1' ' A' ' 13' ' ' ASN . 4.2 ptt? -34.49 123.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.2 t -82.98 14.04 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -98.09 -179.3 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 61.2 m -61.6 138.65 58.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' HA ' ' HE2' ' A' ' 20' ' ' MET . 5.5 mt -76.9 -41.04 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.62 163.43 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.79 ' N ' HD12 ' A' ' 25' ' ' LEU . 56.9 m-85 -133.3 131.57 40.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -90.76 101.05 13.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mt -71.21 121.46 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HZ1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -85.16 177.74 7.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -82.73 123.93 29.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 133.06 -128.02 4.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.2 mp -113.23 127.46 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 45' ' ' ASP . 54.0 m -131.17 95.16 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' CB ' ' OE1' ' A' ' 44' ' ' GLN . 36.5 mtt85 -76.53 146.84 38.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.8 t -117.59 124.68 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.28 -178.71 31.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.482 HE21 ' N ' ' A' ' 37' ' ' GLN . 1.1 mm-40 -45.6 164.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.21 -46.46 14.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 64.5 m-20 -66.55 -16.7 64.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -34.6 136.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.8 mt-10 -34.86 -39.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' ' CD ' ' A' ' 44' ' ' GLN . 5.3 mmp_? -112.04 136.89 50.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -54.59 125.74 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' CD ' ' O ' ' A' ' 42' ' ' ARG . 1.4 mm-40 -114.69 125.17 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.509 ' HB3' HG23 ' A' ' 33' ' ' THR . 20.4 t70 -61.39 -51.54 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.77 HG22 HD21 ' A' ' 48' ' ' LEU . 20.0 mt -97.09 111.54 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.604 ' C ' HD22 ' A' ' 48' ' ' LEU . 5.0 t -95.49 124.19 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -112.82 -176.64 2.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.407 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 40.6 t -47.97 168.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -123.28 8.74 8.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -99.86 -20.51 16.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -129.4 -52.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 13.1 mm -56.98 153.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 53' ' ' ILE . 13.5 mmtp -101.95 155.35 18.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -45.72 -43.53 12.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -126.87 48.85 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.0 t60 -35.0 -66.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.2 p -144.09 179.27 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.0 mt -134.4 159.44 41.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 11' ' ' LEU . 18.5 m-85 -134.18 109.08 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -106.89 107.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -101.71 110.69 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -135.64 143.01 45.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 21.6 ttp180 -80.39 125.15 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 t -62.57 -179.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -65.71 -29.05 69.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -77.18 -2.42 34.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.11 27.79 43.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.438 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.18 124.55 52.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 79.7 t -63.47 127.41 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.8 mm -126.69 145.53 34.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.802 HG12 HD23 ' A' ' 95' ' ' LEU . 95.6 t -116.34 148.54 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -138.07 157.76 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.616 ' HB2' HD21 ' A' ' 95' ' ' LEU . 10.5 tp -122.87 116.83 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.27 82.39 2.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.757 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.2 Cg_endo -69.74 166.62 26.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.4 t -105.95 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.83 -8.93 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -119.2 25.85 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -121.9 146.76 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 2.8 tp10 -105.67 82.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -113.69 143.26 44.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 77.1 m-85 -134.35 111.27 10.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.588 HG22 HG23 ' A' ' 101' ' ' ILE . 75.2 t -106.69 140.25 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.21 44.34 27.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.23 9.13 34.17 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . 22.6 mmtp -128.26 171.71 11.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.765 0.316 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 3.7 ttm180 -89.22 129.55 35.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.757 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.1 p -101.68 129.05 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 t -137.95 18.04 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.661 ' HG2' HG13 ' A' ' 93' ' ' VAL . 2.6 pt20 -149.85 156.29 38.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 93.02 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.729 2.286 . . . . 0.0 112.372 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.661 HG13 ' HG2' ' A' ' 91' ' ' GLN . 26.3 m -114.86 146.95 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.33 107.77 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.802 HD23 HG12 ' A' ' 72' ' ' VAL . 2.4 mm? -54.06 150.56 7.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' GLY . 3.8 tpm_? -103.47 137.45 41.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -54.54 84.49 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 127.19 17.24 2.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.431 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.575 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.7 p30 -84.88 133.99 34.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.546 ' HD3' HD11 ' A' ' 102' ' ' ILE . 12.6 ttm-85 -82.7 121.0 26.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.588 HG23 HG22 ' A' ' 84' ' ' VAL . 14.9 mt -119.61 129.71 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.684 HG13 HG13 ' A' ' 108' ' ' VAL . 4.1 mp -115.3 143.01 26.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.591 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -133.85 138.14 45.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 67.03 -107.69 2.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -115.37 -75.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.62 50.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 103' ' ' MET . 2.1 m-70 -116.82 75.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG13 HG13 ' A' ' 102' ' ' ILE . 1.5 t -86.64 161.72 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 97.3 m-85 -159.92 135.49 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.797 ' HB2' HD22 ' A' ' 14' ' ' LEU . 21.6 ttt180 -100.34 120.23 39.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 72' ' ' VAL . 6.9 t80 -79.21 101.18 7.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.495 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 10.9 m-20 -82.47 158.02 23.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 5.8 t-80 -161.1 78.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.34 5.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' OE1' ' CG ' ' A' ' 113' ' ' HIS . 48.6 mp0 -75.69 -60.94 2.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -43.34 26.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.27 -17.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -69.14 -33.02 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -46.92 -27.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -80.24 -33.4 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -77.55 -26.52 51.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.73 -31.7 49.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -43.49 167.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 2.4 m -40.24 102.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.3 p -130.45 131.41 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -70.69 147.14 43.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.93 8.76 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.27 14.64 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m -58.34 166.1 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -83.46 -9.97 58.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.31 147.66 46.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.76 110.95 2.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -51.58 100.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -60.42 -62.69 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' C ' ' HG3' ' A' ' 115' ' ' GLU . . . 99.07 127.27 5.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.672 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.5 m -147.37 139.19 13.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.576 0.703 . . . . 0.0 111.157 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.7 129.15 17.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.467 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 56.5 p-80 -152.81 151.5 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.8 mt -99.33 132.3 44.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -107.76 146.64 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.07 123.25 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.3 pt? -132.74 6.41 4.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -58.39 -177.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -91.05 6.11 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -108.41 80.61 1.18 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.549 0.69 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.19 3.78 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.4 mt -111.64 -8.65 14.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.505 ' HE1' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -34.73 123.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.8 m -60.9 -10.1 5.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -74.69 167.06 22.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.4 t -72.54 137.81 46.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD22 ' HE1' ' A' ' 20' ' ' MET . 4.5 mm? -46.78 -38.42 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.5 170.14 17.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.821 ' N ' HD12 ' A' ' 25' ' ' LEU . 51.9 m-85 -140.94 121.54 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -77.56 109.24 11.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.88 107.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.22 174.16 8.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -83.48 113.55 20.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.48 -113.76 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mm -131.95 118.58 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 45' ' ' ASP . 17.3 m -109.3 95.21 5.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HA ' HG23 ' A' ' 59' ' ' ILE . 21.5 mtm180 -74.37 129.74 38.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 60' ' ' PHE . 20.9 t -114.31 90.75 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -155.63 -112.95 0.43 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 20.1 mt-30 -121.82 177.76 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -92.59 -25.42 18.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 4.1 m-20 -71.76 -20.39 61.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.623 ' HB3' ' HG2' ' A' ' 44' ' ' GLN . . . -37.2 150.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.05 -41.13 16.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -107.25 178.47 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -84.06 90.77 7.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.623 ' HG2' ' HB3' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -60.74 130.05 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CG ' HG23 ' A' ' 33' ' ' THR . 9.9 t70 -53.14 -56.12 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.713 ' CG2' HD11 ' A' ' 48' ' ' LEU . 14.5 mt -110.77 144.93 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.133 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 48' ' ' LEU . 60.2 t -126.24 123.11 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -119.53 160.66 21.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' ALA . 40.5 t -127.19 -72.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' SER . . . 34.28 -94.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.4 t60 75.39 50.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 23.6 mm -109.9 129.25 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -102.2 158.41 16.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -124.98 30.43 5.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.528 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 5.8 t60 -39.11 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.619 ' SG ' HD11 ' A' ' 74' ' ' LEU . 1.9 t -170.62 179.88 3.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 74' ' ' LEU . 11.0 mt -154.32 167.7 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 24.4 m-85 -143.28 116.72 9.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -99.37 145.67 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p -129.57 123.03 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -156.97 131.41 8.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 4.6 ttm105 -80.33 121.33 25.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.485 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 37.3 t -54.1 179.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -71.09 -14.65 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.6 m -84.79 -37.24 21.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.22 14.74 2.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -102.97 131.59 49.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 38.4 t -72.14 108.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -85.21 154.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.816 HG12 HD23 ' A' ' 95' ' ' LEU . 85.2 t -138.05 114.88 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.21 137.1 52.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.957 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.1 tp -99.35 154.66 18.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' N ' ' HG ' ' A' ' 74' ' ' LEU . 2.8 mm-40 -141.69 81.45 14.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.608 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.8 177.38 5.67 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 2.0 t -106.78 166.17 10.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -89.99 -6.19 55.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -125.12 29.91 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.3 m -130.47 -176.17 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 5.1 mp0 -129.07 92.9 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.473 ' O ' HG12 ' A' ' 89' ' ' VAL . 4.0 m -121.01 124.04 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.83 122.38 42.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG22 HG23 ' A' ' 101' ' ' ILE . 41.9 t -116.41 129.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 63.8 28.72 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.61 -34.23 4.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.88 169.5 10.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -80.65 161.29 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 89' ' ' VAL . 12.2 p -139.4 107.22 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 p -111.13 -21.57 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 3.4 mm100 -111.61 161.06 27.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.619 0.723 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.448 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 54.4 Cg_endo -69.72 116.53 4.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.97 152.8 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -75.41 124.73 27.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.957 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -70.44 156.15 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -110.85 144.44 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 113' ' ' HIS . 17.8 t -54.22 105.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.43 41.31 4.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.776 ' ND2' HD12 ' A' ' 95' ' ' LEU . 8.1 p-10 -94.03 147.57 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -95.09 106.68 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.626 HG22 ' SD ' ' A' ' 103' ' ' MET . 4.9 mt -105.83 104.36 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.693 HG12 HG22 ' A' ' 108' ' ' VAL . 25.3 mt -97.4 120.25 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.626 ' SD ' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -110.0 145.5 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.45 -98.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.51 -73.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -107.07 50.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.487 ' HD2' HD11 ' A' ' 53' ' ' ILE . 14.2 m-70 -130.05 66.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.693 HG22 HG12 ' A' ' 102' ' ' ILE . 2.5 t -90.68 157.76 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -152.57 135.99 15.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.4 ttp-105 -100.18 121.77 41.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 10.4 t80 -79.26 106.02 10.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.467 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 8.8 m-20 -88.1 112.99 23.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.429 ' CE1' ' H ' ' A' ' 116' ' ' GLN . 1.9 t-80 -117.01 72.28 5.99 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.53 0.681 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.11 15.43 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.642 2.228 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.43 ' HG3' ' C ' ' A' ' 7' ' ' GLY . 28.7 mt-10 -87.44 -59.39 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.429 ' H ' ' CE1' ' A' ' 113' ' ' HIS . 3.5 tp-100 -62.21 -38.21 88.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.64 -18.18 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 21.0 ptt180 -73.6 -42.91 60.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 122' ' ' GLU . . . -50.89 -26.77 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.3 pt-20 -37.66 -39.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 122' ' ' GLU . 26.5 ptt180 -63.43 -46.36 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 119' ' ' ALA . 12.1 mm-40 -60.72 -38.74 86.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -85.67 145.32 27.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.7 t -59.41 136.29 57.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.2 t -79.71 -3.8 49.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 115.55 167.86 15.28 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.7 2.61 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.746 2.298 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.9 t -56.96 178.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.1 p -151.28 139.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -110.26 123.2 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -86.84 47.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.04 -136.97 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -114.33 37.49 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.379 . . . . 0.0 110.861 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 t -124.75 53.66 1.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.26 145.13 3.63 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.42 145.56 38.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 141.09 44.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.738 2.292 . . . . 0.0 112.327 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -159.68 150.43 19.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.834 HD11 ' CE2' ' A' ' 60' ' ' PHE . 96.7 mt -98.69 139.66 34.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.65 128.0 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 26.3 t-20 -79.37 95.71 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.5 pt? -101.55 6.76 42.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.621 HD22 ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -45.06 161.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -75.65 5.25 6.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.53 80.57 1.59 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.31 3.65 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.64 2.227 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 3.3 mt -109.55 -13.85 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.451 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -34.72 123.52 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.9 m -61.12 -9.32 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -69.98 -179.9 2.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.98 137.48 34.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 13' ' ' ASN . 3.7 mm? -47.04 -45.14 21.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.759 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -144.39 167.24 22.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.759 ' N ' HD12 ' A' ' 25' ' ' LEU . 85.2 m-85 -130.74 135.29 47.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD1' HD11 ' A' ' 25' ' ' LEU . 11.9 m-85 -91.65 127.73 37.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.482 HD11 ' CD2' ' A' ' 60' ' ' PHE . 2.4 mt -95.7 103.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 178.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -92.18 79.38 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.66 -128.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.403 HG23 HG21 ' A' ' 59' ' ' ILE . 2.9 mp -116.79 109.01 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.878 HG23 ' HB3' ' A' ' 45' ' ' ASP . 3.4 m -101.48 101.96 12.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 30.1 mtt-85 -76.91 109.55 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.09 HG12 HD21 ' A' ' 48' ' ' LEU . 2.5 t -91.79 114.03 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.64 -136.42 2.0 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HA ' HG13 ' A' ' 47' ' ' VAL . 11.8 mm-40 -102.17 176.45 5.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.96 -28.15 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' ALA . 9.0 m-20 -57.68 -36.36 71.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.81 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.837 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.0 150.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -64.18 -46.3 84.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -92.35 112.2 24.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 43' ' ' ARG . 9.0 ttp-105 -41.39 116.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.448 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 6.9 mm100 -79.97 157.87 26.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.878 ' HB3' HG23 ' A' ' 33' ' ' THR . 3.4 t70 -76.58 -46.41 26.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mt -125.03 112.39 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 37' ' ' GLN . 21.3 t -98.62 111.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.09 HD21 HG12 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -72.97 121.0 19.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -82.79 149.88 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 125.56 -108.62 1.08 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.81 167.39 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.71 37.65 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.623 HD11 ' CD2' ' A' ' 107' ' ' HIS . 11.9 mm -110.61 93.94 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' N ' ' HE2' ' A' ' 54' ' ' LYS . 5.8 mmpt? -53.74 136.3 39.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.837 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -43.65 -34.07 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.8 mt-10 -121.27 41.01 3.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.525 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.2 t60 -34.41 -64.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 74' ' ' LEU . 30.3 p -156.7 176.64 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.511 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.1 mt -141.52 161.89 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 11' ' ' LEU . 48.6 m-85 -127.21 107.35 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -99.49 108.48 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -105.87 95.45 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -122.66 147.93 45.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 11.1 ttp180 -80.25 117.8 21.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.2 t -59.02 173.89 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -61.92 -19.51 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -88.31 -0.16 56.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 82.2 14.39 76.91 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.3 pt-20 -101.72 122.46 43.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' NE2' ' A' ' 113' ' ' HIS . 99.3 t -64.72 129.54 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.433 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.6 mm -130.27 140.85 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 111' ' ' PHE . 53.6 t -117.33 134.48 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -127.74 135.52 50.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.003 HD23 HG21 ' A' ' 89' ' ' VAL . 16.0 tp -87.56 119.54 27.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.55 80.47 0.94 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.987 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.0 Cg_endo -69.73 174.84 8.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.718 2.278 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -103.8 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.19 -37.42 26.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -106.55 34.31 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 76.8 p -105.31 139.55 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -95.4 59.16 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 m -97.68 145.75 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -140.89 113.3 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.582 HG22 HG12 ' A' ' 101' ' ' ILE . 84.6 t -109.18 130.38 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 m120 62.31 36.54 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.02 10.05 55.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -118.61 -178.66 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -92.49 129.42 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.003 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -112.55 90.94 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 p -109.13 -3.04 17.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.437 ' CB ' ' HD2' ' A' ' 92' ' ' PRO . 0.0 OUTLIER -131.9 167.0 24.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.893 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 91' ' ' GLN . 53.3 Cg_endo -69.79 116.51 4.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' C ' HG23 ' A' ' 73' ' ' THR . 19.3 m -139.37 144.7 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 27.4 mt-30 -67.3 137.53 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.976 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -86.86 143.53 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.763 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 3.5 tpm_? -106.53 122.04 45.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.74 90.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 130.09 22.71 1.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.763 ' ND2' ' H ' ' A' ' 96' ' ' ARG . 93.8 m-20 -90.49 -177.57 5.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.452 ' HG2' HD11 ' A' ' 14' ' ' LEU . 17.1 mtm180 -129.68 100.8 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.582 HG12 HG22 ' A' ' 84' ' ' VAL . 9.6 mt -101.12 117.04 45.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.927 HG12 HG22 ' A' ' 108' ' ' VAL . 25.1 mt -108.19 109.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.525 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 2.8 mtt -108.57 140.01 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.48 ' HA3' ' CD1' ' A' ' 53' ' ' ILE . . . 80.46 -105.01 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.522 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -127.72 -67.32 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -122.55 46.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.623 ' CD2' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -117.63 79.23 1.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.927 HG22 HG12 ' A' ' 102' ' ' ILE . 4.2 t -83.3 150.55 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' ILE . 56.8 m-85 -155.75 127.2 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.65 HH12 HD13 ' A' ' 14' ' ' LEU . 5.3 ttp-105 -97.39 134.83 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 76.2 t80 -79.85 152.83 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -135.07 162.44 32.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.438 ' NE2' ' O ' ' A' ' 70' ' ' VAL . 4.4 t-80 -168.34 80.84 0.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -33.64 16.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.39 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.54 -56.26 24.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' HB3' ' ND1' ' A' ' 113' ' ' HIS . 0.4 OUTLIER -66.89 -42.2 85.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.6 -13.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -71.6 -14.6 62.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -94.05 -49.17 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -41.42 -57.72 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -47.04 -32.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -64.51 -44.38 91.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -49.17 -51.61 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 124' ' ' THR . 1.4 p -62.69 -36.81 84.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.7 t -137.92 108.98 6.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.43 -168.16 41.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.46 21.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.36 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 m -118.42 130.77 56.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 53.7 p -127.1 116.66 21.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -118.95 118.69 32.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 t -162.42 146.85 12.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.56 -175.99 14.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -137.08 128.26 27.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -113.63 171.52 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.93 -102.44 2.78 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 57.64 154.18 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.176 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.63 ' HB3' HG21 ' A' ' 72' ' ' VAL . 53.6 Cg_endo -69.78 97.14 0.62 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.453 ' CD2' HD13 ' A' ' 25' ' ' LEU . 28.6 p-80 -118.35 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 111' ' ' PHE . 2.0 mt -98.33 130.12 45.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 t -93.53 156.06 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' ND2' ' SD ' ' A' ' 20' ' ' MET . 35.6 t-20 -93.87 101.74 13.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CB ' ' A' ' 110' ' ' ARG . 1.4 pt? -115.96 9.7 14.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -45.03 170.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 14.1 pt-20 -78.14 9.34 3.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -107.34 81.0 0.95 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.566 0.698 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 54.2 Cg_endo -69.7 0.17 5.99 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.9 -9.29 15.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.415 ' SD ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -37.76 119.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -90.4 15.86 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -94.56 -163.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 m -64.5 143.63 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.12 -38.11 61.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.997 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -146.32 -179.79 6.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.997 ' N ' HD12 ' A' ' 25' ' ' LEU . 52.5 m-85 -143.12 123.43 13.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.91 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.1 m-85 -92.33 138.53 31.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.85 127.34 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -60.96 -172.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -102.09 79.96 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.671 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 170.54 -122.46 0.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.671 HD12 ' C ' ' A' ' 31' ' ' GLY . 1.7 mp -114.77 134.24 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.2 m -128.1 104.44 7.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -80.31 110.58 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -90.29 142.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 164.17 -132.78 2.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -101.08 169.92 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.665 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -87.86 -24.25 23.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -75.82 -23.14 55.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -37.86 135.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' ALA . 3.0 mt-10 -37.75 -36.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 43' ' ' ARG . 30.7 mtm180 -114.44 109.98 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ARG . 49.8 ttt180 -36.41 118.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -88.5 133.03 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.601 ' HB3' HG23 ' A' ' 33' ' ' THR . 11.9 t70 -47.6 -66.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG22 ' CD2' ' A' ' 48' ' ' LEU . 33.4 mt -101.94 119.1 49.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ALA . 49.2 t -99.91 119.95 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD11 ' CE2' ' A' ' 109' ' ' PHE . 2.9 mm? -90.09 161.13 15.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -91.63 -175.12 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.51 159.15 7.72 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.24 13.05 34.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -99.33 12.66 35.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.51 HD11 ' CD2' ' A' ' 107' ' ' HIS . 3.6 mm -100.78 165.35 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' H ' HG22 ' A' ' 53' ' ' ILE . 38.0 mmtt -114.64 137.41 51.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' LYS . 3.9 mp0 -34.58 -46.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' HIS . 20.4 mt-10 -119.72 49.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' GLU . 12.9 t60 -34.63 -69.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 82' ' ' THR . 30.7 m -148.95 -176.87 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 60' ' ' PHE . 17.4 mt -140.35 154.38 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.422 ' CE1' HD13 ' A' ' 74' ' ' LEU . 44.7 m-85 -123.82 110.35 14.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -99.87 104.95 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.838 ' OG ' HG22 ' A' ' 72' ' ' VAL . 58.7 m -112.35 103.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -139.5 173.75 11.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 1.1 ttp-105 -80.46 108.57 14.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.3 t -49.62 178.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.13 -21.14 64.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 m -90.44 -1.93 57.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 92.42 0.21 70.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 71' ' ' ILE . 4.0 pt-20 -93.72 124.6 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -62.91 113.61 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 69' ' ' GLU . 49.4 mm -114.72 154.53 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.838 HG22 ' OG ' ' A' ' 62' ' ' SER . 67.4 t -124.63 133.42 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.519 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -128.64 135.27 49.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.939 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.5 tp -93.92 120.8 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -108.19 80.96 1.18 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.623 0.725 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.855 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 155.31 66.19 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.93 -174.56 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -84.95 126.06 33.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 64.03 39.03 8.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' THR . 2.0 p -100.29 126.34 46.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.58 75.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -129.3 141.76 51.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -145.95 126.77 14.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.719 HG22 HG13 ' A' ' 101' ' ' ILE . 24.9 t -116.6 129.77 72.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.1 m120 63.19 26.38 15.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.9 -28.03 10.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.18 161.73 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -71.82 165.28 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.855 HG22 ' HG3' ' A' ' 76' ' ' PRO . 12.4 p -145.58 108.83 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.5 t -120.24 -7.92 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.518 ' HG2' HG13 ' A' ' 93' ' ' VAL . 1.9 pt20 -117.83 155.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.519 ' C ' HG23 ' A' ' 73' ' ' THR . 32.8 m -121.4 153.67 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' NE2' HG21 ' A' ' 71' ' ' ILE . 50.1 mt-30 -70.54 134.99 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.0 mm? -74.85 148.83 39.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 2.9 tpm_? -99.24 121.31 40.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.94 85.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 134.5 4.6 2.77 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.494 HD21 HD11 ' A' ' 101' ' ' ILE . 3.1 p30 -80.37 -174.09 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.33 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.403 ' HG2' HD11 ' A' ' 14' ' ' LEU . 57.7 mtp180 -136.38 108.33 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.719 HG13 HG22 ' A' ' 84' ' ' VAL . 4.9 mp -93.82 120.74 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.663 HG12 HG22 ' A' ' 108' ' ' VAL . 26.3 mt -106.77 118.84 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.488 ' HG2' HG23 ' A' ' 82' ' ' THR . 4.8 mtt -124.32 103.53 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.54 -99.58 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -130.57 -73.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -114.87 21.18 14.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' N ' ' A' ' 107' ' ' HIS . 0.3 OUTLIER -86.26 78.59 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.663 HG22 HG12 ' A' ' 102' ' ' ILE . 1.5 t -102.54 140.31 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.546 ' CE2' HD11 ' A' ' 48' ' ' LEU . 74.7 m-85 -135.79 142.49 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.683 ' CB ' HD22 ' A' ' 14' ' ' LEU . 28.8 ttm-85 -96.65 129.01 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.44 ' HD1' HD23 ' A' ' 11' ' ' LEU . 8.8 t80 -80.99 129.59 34.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -124.52 103.11 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -111.73 74.26 1.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.805 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -33.93 15.51 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.26 -56.82 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.2 -32.33 71.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.82 -9.7 4.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -85.21 -30.75 23.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.73 -6.65 46.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -77.33 -23.99 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -101.67 -29.56 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 123' ' ' LYS . 17.6 pt-20 -60.59 -17.8 48.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 122' ' ' GLU . 0.1 OUTLIER -34.01 150.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 89.5 m -43.36 128.03 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -92.99 49.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.71 -91.41 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 170.55 16.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.5 t 50.35 49.93 19.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 89.5 p -99.86 120.37 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -80.5 111.26 16.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 m -152.61 129.25 10.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.16 89.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -126.86 108.84 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -161.65 111.1 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.32 79.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.464 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.69 146.83 32.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.561 0.696 . . . . 0.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.54 9.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' HB2' HD13 ' A' ' 25' ' ' LEU . 7.9 p-80 -140.36 147.82 40.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.836 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 HD11 ' CE2' ' A' ' 60' ' ' PHE . 62.6 mt -98.5 127.33 44.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 t -99.18 136.27 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 37.8 t-20 -83.97 77.2 9.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -76.59 6.71 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -46.63 172.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -96.9 17.66 16.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -108.51 80.2 1.14 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 0.37 5.74 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.647 2.231 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mt -114.13 -5.08 13.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.53 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -42.4 125.23 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.2 t -78.76 6.56 8.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -97.04 167.19 11.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 75.6 m -51.48 148.37 5.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD13 ' CE ' ' A' ' 20' ' ' MET . 3.1 mm? -76.05 -43.85 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -145.7 161.35 40.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.701 ' N ' HD12 ' A' ' 25' ' ' LEU . 23.8 m-85 -122.43 124.21 43.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 25' ' ' LEU . 8.8 m-85 -88.07 93.07 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 29' ' ' LYS . 2.7 mt -53.11 158.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 28' ' ' ILE . 5.3 mttp -104.9 -178.18 3.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.73 78.35 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.36 -106.88 0.23 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 61' ' ' ARG . 4.2 mm -131.89 130.92 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.5 m -134.1 102.83 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -76.53 140.66 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.958 HG12 HD21 ' A' ' 48' ' ' LEU . 2.8 t -118.14 109.33 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.46 -118.41 0.48 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.764 ' HA ' HG13 ' A' ' 47' ' ' VAL . 44.7 mm-40 -115.21 -178.52 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -97.29 -29.23 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.91 -20.38 45.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' CD ' ' A' ' 55' ' ' GLU . . . -38.45 142.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -38.96 -36.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -113.36 139.91 48.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLN . 29.6 ttp180 -65.68 110.73 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' CA ' ' OE1' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -91.94 139.69 30.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.938 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.696 ' HB3' HG23 ' A' ' 33' ' ' THR . 17.9 t70 -64.58 -58.63 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.8 116.89 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.764 HG13 ' HA ' ' A' ' 37' ' ' GLN . 58.3 t -105.46 114.47 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -83.6 154.55 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.411 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 3.5 t -58.77 163.3 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.74 64.95 2.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.98 76.52 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.828 0.346 . . . . 0.0 111.09 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 53.89 42.07 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG22 ' N ' ' A' ' 54' ' ' LYS . 4.6 mm -103.74 158.5 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 53' ' ' ILE . 20.3 mmtt -107.23 151.36 25.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' CD ' ' HA ' ' A' ' 40' ' ' ALA . 36.1 mt-10 -53.77 -30.65 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.3 mt-10 -131.71 44.59 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.545 ' CD2' ' HB3' ' A' ' 103' ' ' MET . 8.6 t60 -34.98 -70.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 p -142.84 178.96 7.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.3 mt -140.08 153.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.693 ' CE2' HD11 ' A' ' 11' ' ' LEU . 30.2 m-85 -123.47 112.41 17.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 23.4 ttp180 -105.77 114.83 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 t -113.46 101.62 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -129.41 147.67 51.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -80.89 104.26 11.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 t -42.14 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.15 -20.14 38.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -83.64 -15.28 49.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.86 9.35 46.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -103.23 125.43 49.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 89.9 t -63.71 131.18 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 7.7 mm -130.68 129.57 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.631 HG12 HD23 ' A' ' 95' ' ' LEU . 64.4 t -106.69 129.35 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.458 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -124.25 137.0 54.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.894 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.3 tp -97.77 117.47 32.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -109.16 80.71 1.44 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.923 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.1 Cg_endo -69.71 175.85 7.51 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.88 -179.23 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -89.47 -35.35 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.6 mtt180 -97.73 36.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.6 m -127.19 159.3 34.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -111.83 88.39 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.84 156.24 29.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 88.8 m-85 -153.18 117.68 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.679 HG13 HD22 ' A' ' 99' ' ' ASN . 12.7 t -113.71 132.8 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.1 m120 60.88 33.45 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.95 -23.91 4.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -90.36 -174.68 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HE ' ' N ' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.63 143.62 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 76' ' ' PRO . 7.5 p -126.6 109.49 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 p -121.19 8.34 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.415 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 8.8 mm-40 -136.89 160.6 65.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.415 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.7 Cg_endo -69.8 96.73 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.458 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -126.3 150.54 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 73' ' ' THR . 29.0 mt-30 -62.24 145.85 52.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.894 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mm? -87.17 146.64 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -99.12 119.42 37.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.99 87.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 96' ' ' ARG . . . 129.78 12.01 2.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.679 HD22 HG13 ' A' ' 84' ' ' VAL . 11.1 p-10 -87.38 150.34 23.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.612 ' HG2' HD11 ' A' ' 102' ' ' ILE . 7.2 ttm180 -93.24 101.69 13.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.515 HG12 HG22 ' A' ' 84' ' ' VAL . 18.0 mt -90.21 121.28 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 100' ' ' ARG . 3.8 mp -118.62 138.62 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.158 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HB3' ' CD2' ' A' ' 57' ' ' HIS . 11.3 mtt -132.92 148.25 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 40.09 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 103' ' ' MET . 0.4 OUTLIER -154.37 142.35 20.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.914 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 47.88 34.7 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.411 ' CE1' ' H ' ' A' ' 49' ' ' SER . 27.1 m-70 -130.82 65.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.598 HG13 HG13 ' A' ' 102' ' ' ILE . 4.0 t -93.15 156.38 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 36.4 m-85 -158.07 143.42 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.856 ' HB2' HD22 ' A' ' 14' ' ' LEU . 10.0 ttp-105 -107.57 130.24 54.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 95' ' ' LEU . 23.1 t80 -82.81 140.37 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -124.12 119.0 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 2.4 t-80 -133.85 74.78 68.69 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.78 3.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -93.51 -58.46 2.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.43 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.74 -18.4 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -66.88 -38.44 86.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.84 -7.02 52.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -48.99 -41.01 32.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -68.18 -23.12 64.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -84.49 21.22 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -109.39 -46.49 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 m -102.62 108.72 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -175.95 128.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.18 166.39 31.52 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.4 t -148.12 -178.08 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 130' ' ' GLY . 1.5 m -101.39 156.54 17.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 129' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -128.0 21.06 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.352 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -73.06 67.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.17 98.96 0.43 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -166.87 110.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -137.18 120.48 16.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.35 133.83 16.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.5 m -141.19 139.16 18.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.2 Cg_endo -69.72 124.83 11.49 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.661 2.24 . . . . 0.0 112.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.573 ' CE1' ' CB ' ' A' ' 112' ' ' ASN . 24.8 p-80 -141.3 166.97 23.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -120.31 129.73 54.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.98 158.65 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -102.56 95.6 6.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.4 pt? -104.64 7.03 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.613 HD21 ' N ' ' A' ' 108' ' ' VAL . 15.5 m120 -45.95 171.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 5.0 mm-40 -84.11 22.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.38 81.38 1.04 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.57 0.7 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.8 Cg_endo -69.73 1.68 4.2 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.698 2.266 . . . . 0.0 112.377 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 20' ' ' MET . 14.6 mt -104.1 -17.78 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.1 tmm? -34.35 123.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.4 t -109.01 -10.54 15.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -173.64 2.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 96.1 m -47.78 125.2 8.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 24' ' ' LEU . 2.2 mm? -72.08 -38.37 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.48 161.79 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.63 ' N ' HD12 ' A' ' 25' ' ' LEU . 31.6 m-85 -128.72 131.06 47.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 25' ' ' LEU . 35.0 m-85 -91.74 119.27 31.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.8 mt -79.93 120.43 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 164.54 26.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.24 73.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.34 -124.27 0.72 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' A' ' 59' ' ' ILE . 3.6 mp -129.8 102.72 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 33' ' ' THR . 1.6 m -97.07 99.52 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -74.18 136.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.901 HG12 HD21 ' A' ' 48' ' ' LEU . 5.1 t -106.18 109.23 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.4 -133.14 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -109.93 175.46 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -89.66 -22.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -90.7 -10.71 42.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.34 160.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -62.24 -48.01 81.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' GLN . 18.2 mmt85 -97.41 108.3 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ARG . 5.4 ttp-105 -34.98 93.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ARG . 36.5 mm-40 -62.97 165.73 6.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.79 -51.62 4.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 46' ' ' ILE . 6.5 mt -108.2 107.81 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG11 ' HB2' ' A' ' 38' ' ' ALA . 21.4 t -92.54 106.22 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.901 HD21 HG12 ' A' ' 35' ' ' VAL . 1.6 mm? -69.21 173.73 5.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.47 138.95 54.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.82 -109.57 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.64 170.69 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.337 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.8 m80 58.23 33.8 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.702 HD11 ' ND1' ' A' ' 107' ' ' HIS . 18.3 mm -104.41 93.55 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ILE . 1.7 mmmp? -38.26 129.79 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -49.95 -32.3 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.5 mt-10 -127.8 37.34 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CD2' ' HG1' ' A' ' 82' ' ' THR . 7.0 t60 -34.52 -69.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.5 p -145.27 -179.25 6.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 60' ' ' PHE . 24.4 mt -140.23 159.45 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.506 ' N ' HG22 ' A' ' 59' ' ' ILE . 17.7 m-85 -123.7 107.45 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -99.92 112.14 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -110.41 91.0 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -117.15 142.84 46.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 3.4 ttm105 -80.34 108.26 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -47.55 167.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -60.87 -12.67 11.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -88.01 -18.78 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 104.38 10.58 33.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -103.28 132.09 49.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -74.57 110.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.8 mm -104.67 132.72 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 HD23 ' A' ' 95' ' ' LEU . 63.4 t -109.05 132.91 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -128.6 145.7 51.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.13 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD21 ' A' ' 95' ' ' LEU . 11.1 tp -100.61 121.23 41.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.49 81.1 2.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.678 0.751 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.496 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.97 179.98 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.5 -44.04 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -100.13 34.0 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.1 p -112.65 118.71 35.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -80.48 70.64 7.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.554 ' HG1' ' CD2' ' A' ' 57' ' ' HIS . 2.2 m -101.76 146.43 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 64.3 m-85 -147.5 113.69 5.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.751 HG22 HG12 ' A' ' 101' ' ' ILE . 14.5 t -102.17 135.07 40.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 55.08 23.41 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.83 18.07 66.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.1 143.73 51.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -63.94 135.21 56.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.0 p -128.39 114.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.7 p -120.66 -14.8 8.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' CD ' ' HD2' ' A' ' 92' ' ' PRO . 7.7 mm100 -112.22 161.0 28.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 91' ' ' GLN . 53.4 Cg_endo -69.82 97.57 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.469 ' C ' HG23 ' A' ' 73' ' ' THR . 31.8 m -122.15 150.15 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -65.8 144.16 57.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.2 mm? -88.1 147.88 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -103.63 120.41 40.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.04 101.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . . . 115.82 9.66 12.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.521 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.615 ' OD1' HG13 ' A' ' 84' ' ' VAL . 2.1 p30 -82.55 162.34 22.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.03 107.18 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.751 HG12 HG22 ' A' ' 84' ' ' VAL . 6.2 mt -98.08 117.9 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.904 HG12 HG22 ' A' ' 108' ' ' VAL . 10.6 mt -109.26 101.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.7 ' SD ' HG11 ' A' ' 35' ' ' VAL . 6.1 mtm -104.67 103.49 13.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 94.62 -103.64 3.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.538 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.522 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 24.7 mmtp -151.78 129.97 11.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.351 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.01 29.58 14.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.702 ' ND1' HD11 ' A' ' 53' ' ' ILE . 29.4 m80 -115.86 51.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.904 HG22 HG12 ' A' ' 102' ' ' ILE . 2.8 t -84.91 123.44 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -117.97 153.31 33.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.909 ' HB2' HD22 ' A' ' 14' ' ' LEU . 13.1 ttt-85 -105.14 115.72 30.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' GLY . 14.8 t80 -79.87 118.47 21.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.573 ' CB ' ' CE1' ' A' ' 10' ' ' HIS . 6.8 m-20 -116.07 115.32 25.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -130.37 80.82 69.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.582 0.706 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.88 21.58 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.67 -40.24 75.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.24 -44.19 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.32 -30.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -39.53 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.23 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -69.21 -39.6 78.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -62.81 -14.06 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -83.22 -47.14 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 171.69 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 t -169.53 152.07 4.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.8 t -159.8 -175.92 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 77.08 77.56 0.79 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.83 26.3 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 130' ' ' GLY . 39.7 t -135.38 128.84 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 m 39.92 25.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 128' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -50.4 -58.85 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 m -156.97 158.8 37.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.97 -76.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p 38.43 32.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -118.66 153.47 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.78 134.71 3.86 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.74 147.85 67.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.57 0.7 . . . . 0.0 111.141 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 144.03 52.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' CD2' HD13 ' A' ' 25' ' ' LEU . 46.5 p-80 -158.49 153.71 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 46' ' ' ILE . 46.3 mt -104.08 125.71 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.95 142.05 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -87.25 73.73 9.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.786 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -73.93 3.44 6.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -51.3 166.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.1 pt-20 -96.58 -31.0 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' GLU . 4.8 m-20 -32.6 96.03 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.4 Cg_endo -69.81 2.74 3.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' MET . 13.0 mt -111.24 -9.53 14.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.571 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -35.22 123.27 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -109.49 -9.24 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -80.85 166.91 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 t -49.6 142.26 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD13 ' CE ' ' A' ' 20' ' ' MET . 3.3 mm? -61.1 -34.71 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.911 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.23 175.62 10.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.911 ' N ' HD12 ' A' ' 25' ' ' LEU . 45.8 m-85 -137.73 125.67 22.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.83 137.77 32.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.2 mt -113.84 117.31 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.78 176.57 6.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.4 101.29 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.74 -118.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' C ' ' HZ1' ' A' ' 29' ' ' LYS . 3.6 mp -129.04 106.29 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.599 ' O ' HG22 ' A' ' 33' ' ' THR . 1.3 m -91.76 100.94 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -79.74 116.93 20.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.642 HG12 HD21 ' A' ' 48' ' ' LEU . 23.3 t -89.78 129.95 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.13 -140.0 4.66 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 44' ' ' GLN . 21.9 mm-40 -102.27 164.99 11.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.747 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -81.12 -13.89 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.049 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' ALA . 39.8 m-20 -82.39 -30.53 30.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -35.82 147.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 40' ' ' ALA . 2.6 pt-20 -34.54 -47.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.6 mmt85 -107.1 159.76 16.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -70.43 90.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 37' ' ' GLN . 83.2 mm-40 -48.46 116.23 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' CB ' HG23 ' A' ' 33' ' ' THR . 2.5 m-20 -42.64 -31.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' CG2' HD11 ' A' ' 48' ' ' LEU . 29.3 mt -131.46 128.42 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' ' 38' ' ' ALA . 87.8 t -115.05 107.14 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 ' H ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -87.28 174.42 8.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.3 t -100.53 -179.06 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.53 139.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.62 8.46 5.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -89.75 15.17 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 54' ' ' LYS . 18.4 mm -107.32 162.46 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' N ' HG22 ' A' ' 53' ' ' ILE . 18.5 mmtp -114.64 142.76 46.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -48.99 -29.71 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 18.3 mm-40 -131.9 39.84 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t60 -36.53 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.4 p -139.48 -179.12 5.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 60' ' ' PHE . 10.2 mt -144.04 161.75 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' N ' HG22 ' A' ' 59' ' ' ILE . 24.9 m-85 -131.89 125.43 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -113.46 120.93 42.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 m -114.49 111.58 21.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -143.49 153.17 42.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -84.21 128.64 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -69.6 166.29 19.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -54.7 -23.04 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 t -77.15 -28.54 54.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.63 23.93 6.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 4.6 pt-20 -114.99 121.67 43.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 74.6 t -60.42 109.36 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.68 150.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG12 HD23 ' A' ' 95' ' ' LEU . 65.8 t -119.85 140.62 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.408 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -131.86 135.16 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.972 ' HB2' HD21 ' A' ' 95' ' ' LEU . 5.3 tp -94.66 126.59 40.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.7 mp0 -111.34 80.17 2.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.616 0.722 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.908 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 154.61 67.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.06 179.86 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.71 4.75 30.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -118.78 11.0 12.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.62 -174.91 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 1.9 tp10 -128.07 100.46 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 1.7 m -119.99 149.74 41.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 81' ' ' GLU . 84.5 m-85 -148.65 129.06 13.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.818 HG13 HD22 ' A' ' 99' ' ' ASN . 85.5 t -127.64 136.56 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.19 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.754 HD22 HG12 ' A' ' 84' ' ' VAL . 8.6 m-80 63.67 25.23 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.94 0.77 90.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -119.25 170.95 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.765 0.317 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -78.38 151.13 32.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 76' ' ' PRO . 11.1 p -134.07 98.9 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -111.46 -11.86 14.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.8 pt20 -113.94 155.68 44.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.696 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 99.0 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.27 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.411 HG13 ' HG2' ' A' ' 91' ' ' GLN . 34.5 m -120.87 157.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -73.8 142.79 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.972 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.6 mm? -87.32 176.33 7.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -140.94 157.66 45.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.87 114.18 20.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.31 0.6 40.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.818 HD22 HG13 ' A' ' 84' ' ' VAL . 4.9 p-10 -78.02 155.44 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -100.99 125.37 47.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 84' ' ' VAL . 7.5 mt -123.27 119.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.685 HG13 HG22 ' A' ' 108' ' ' VAL . 2.9 mp -108.87 136.2 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 mtt -132.47 105.78 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 111.12 -101.62 1.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' H ' ' CE1' ' A' ' 107' ' ' HIS . 18.1 mmtp -118.83 -71.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -125.7 18.33 8.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.535 ' O ' ' CE1' ' A' ' 109' ' ' PHE . 1.7 m80 -79.37 75.77 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.685 HG22 HG13 ' A' ' 102' ' ' ILE . 1.7 t -87.73 147.71 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.535 ' CE1' ' O ' ' A' ' 107' ' ' HIS . 23.7 m-85 -144.0 147.82 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.747 ' HB2' HD22 ' A' ' 14' ' ' LEU . 36.3 ttm180 -105.51 125.22 50.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.469 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 86.3 t80 -86.18 132.13 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -123.34 124.7 43.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 115' ' ' GLU . 9.6 t-80 -107.53 78.89 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.589 0.709 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 2.79 3.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.379 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.588 ' OE1' ' CD2' ' A' ' 113' ' ' HIS . 6.5 mp0 -82.58 -59.4 2.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -38.26 29.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.81 -8.89 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -81.19 -31.12 34.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.48 -19.83 10.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -68.02 -13.97 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.8 ptt85 -99.7 -41.04 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' LYS . 10.6 pt-20 -66.3 -51.3 58.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLU . 2.2 ptmm? 34.42 39.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.5 m -171.35 127.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.4 m -55.08 162.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -143.49 160.95 27.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.73 44.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.9 p -100.14 -75.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.4 m -71.84 107.08 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -94.73 -37.21 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -43.9 131.83 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.58 78.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -130.11 74.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -40.68 -55.39 2.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.46 162.61 11.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.06 146.5 3.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.06 15.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.266 . . . . 0.0 112.346 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 35.4 p-80 -150.47 155.5 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 60' ' ' PHE . 28.5 mt -104.72 136.87 43.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.57 148.95 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -90.27 83.57 5.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.814 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -88.77 1.34 55.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -59.94 177.26 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 17' ' ' ASP . 3.6 pt-20 -100.85 -12.65 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 16' ' ' GLU . 3.4 m-20 -32.61 96.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.724 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.4 Cg_endo -69.78 -0.17 6.54 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.359 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mt -125.82 12.13 7.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.3 ptm -55.51 105.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -98.51 -9.53 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 23' ' ' CYS . 6.6 mt-10 -79.78 150.67 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' GLU . 8.2 t -34.46 140.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.88 -32.13 73.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.56 164.37 32.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.7 m-85 -135.55 124.29 23.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -80.68 130.58 35.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.8 mt -103.01 122.29 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -80.9 176.23 10.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -85.09 83.09 8.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.77 -122.43 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 3.0 mm -128.47 113.02 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.497 HG23 ' CB ' ' A' ' 45' ' ' ASP . 96.0 m -111.72 98.24 7.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' HA ' HG23 ' A' ' 59' ' ' ILE . 69.6 mtt180 -67.85 146.75 53.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG21 ' CE2' ' A' ' 60' ' ' PHE . 2.1 t -126.76 117.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.571 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 176.1 -136.31 3.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -100.7 153.32 19.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.937 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.15 -34.56 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ALA . 25.2 t70 -66.06 -29.51 69.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' ASP . . . -36.18 147.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 mm-40 -37.07 -57.88 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 6.0 tpp85 -99.68 130.07 45.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 42' ' ' ARG . 11.9 ttm105 -50.3 135.59 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' HB3' ' A' ' 34' ' ' ARG . 4.9 mm100 -110.95 143.32 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.497 ' CB ' HG23 ' A' ' 33' ' ' THR . 27.1 t0 -63.72 -57.62 9.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.866 ' CG2' HD11 ' A' ' 48' ' ' LEU . 12.3 mt -96.4 125.36 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.584 ' C ' HD13 ' A' ' 48' ' ' LEU . 6.6 t -103.83 128.85 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.866 HD11 ' CG2' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.65 103.7 9.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.1 t -126.06 131.86 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.0 -8.01 1.93 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.663 ' HB3' ' CE1' ' A' ' 107' ' ' HIS . . . -164.73 -177.36 4.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.35 111.73 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 107' ' ' HIS . 6.7 mm -146.22 135.05 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 55' ' ' GLU . 15.2 mmtt -91.9 133.8 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' LYS . 39.6 mt-10 -34.5 -44.11 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.5 mm-40 -120.4 49.97 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.9 t60 -34.67 -69.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' SG ' HD11 ' A' ' 74' ' ' LEU . 27.6 p -148.37 -178.71 6.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 34' ' ' ARG . 17.2 mt -139.86 152.49 22.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.718 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.4 m-85 -114.94 107.82 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' HG2' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -100.14 135.8 41.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -129.86 121.43 26.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -146.44 139.17 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 64' ' ' ARG . 2.9 ttm105 -81.24 116.73 21.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 t -54.27 160.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.26 -26.83 12.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -27.1 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.89 21.27 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.5 128.07 54.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.6 t -67.62 111.44 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 94' ' ' GLN . 3.0 mm -110.73 143.61 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 111' ' ' PHE . 22.9 t -116.06 149.9 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.513 HG23 ' C ' ' A' ' 93' ' ' VAL . 0.2 OUTLIER -142.59 132.63 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.953 ' HB2' HD21 ' A' ' 95' ' ' LEU . 4.6 tp -96.43 129.76 43.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -112.15 79.92 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.694 0.759 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.894 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.78 167.67 23.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.38 138.78 37.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -22.55 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -122.96 36.48 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -127.76 105.76 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.23 99.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -137.97 134.77 35.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 84.2 m-85 -138.17 132.07 31.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.726 HG13 ' OD1' ' A' ' 99' ' ' ASN . 23.1 t -130.78 141.37 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.3 m120 62.9 31.6 16.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.64 7.62 83.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -128.21 177.9 6.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 20.5 ttp85 -86.3 149.55 24.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.894 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.9 p -130.67 96.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -113.38 30.81 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.51 160.93 23.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.54 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.513 ' C ' HG23 ' A' ' 73' ' ' THR . 15.2 m -118.71 152.42 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 71' ' ' ILE . 30.2 mt-30 -70.07 139.57 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.953 HD21 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mm? -83.65 170.58 14.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 96' ' ' ARG . 4.5 mmm180 -135.3 162.36 32.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.55 115.2 24.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.08 -4.0 48.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.726 ' OD1' HG13 ' A' ' 84' ' ' VAL . 0.5 OUTLIER -68.2 147.93 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.724 ' NE ' HD11 ' A' ' 102' ' ' ILE . 1.2 tmm_? -95.64 104.64 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 84' ' ' VAL . 6.9 mt -100.97 124.02 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 108' ' ' VAL . 21.6 mt -115.97 122.64 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtt -111.67 147.23 35.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.437 ' HA3' ' HD1' ' A' ' 107' ' ' HIS . . . 54.98 -104.6 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -130.81 -63.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.756 0.312 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -110.32 31.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.663 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 5.7 m80 -108.41 66.43 0.65 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 102' ' ' ILE . 67.4 t -84.51 153.41 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.498 ' C ' HD21 ' A' ' 14' ' ' LEU . 80.5 m-85 -156.4 148.02 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.716 ' HB2' HD22 ' A' ' 14' ' ' LEU . 31.3 ttt180 -117.32 117.69 30.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.646 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 58.6 t80 -79.59 123.16 27.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 23.3 m-20 -109.95 140.5 43.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 24.4 t-80 -139.34 80.6 22.46 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.721 . . . . 0.0 110.855 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -20.1 35.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.468 ' O ' ' CD ' ' A' ' 118' ' ' ARG . 40.8 mt-10 -64.0 -53.99 41.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -44.1 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.1 -24.01 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.468 ' CD ' ' O ' ' A' ' 115' ' ' GLU . 5.2 ptm180 -66.29 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -43.92 -51.23 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -62.64 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -57.94 -53.09 62.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -58.49 -45.68 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -44.95 141.92 2.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 93.1 m -83.18 -54.57 4.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -87.4 46.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.07 -82.17 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 75.77 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.1 t -142.3 166.81 23.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.5 p -163.98 165.71 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -152.35 173.12 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.15 121.69 28.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.65 -177.82 43.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -79.32 165.66 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.9 p -96.34 29.78 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.64 101.14 0.14 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.7 m -114.25 139.21 23.51 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.541 0.686 . . . . 0.0 111.135 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 8' ' ' THR . 54.0 Cg_endo -69.8 131.99 22.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.671 2.248 . . . . 0.0 112.316 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -148.27 154.37 39.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -99.32 117.02 32.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.75 133.34 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -78.96 125.5 29.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -125.73 12.69 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -51.46 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 2.8 pt-20 -101.43 9.8 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 81.26 1.01 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.801 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 53.8 Cg_endo -69.77 -4.94 15.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' MET . 2.5 mt -95.75 -17.64 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -34.35 124.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -87.19 26.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -117.23 170.92 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.547 ' C ' HD22 ' A' ' 24' ' ' LEU . 4.5 t -49.08 157.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -104.51 -19.35 14.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.944 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -156.61 157.45 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.944 ' N ' HD12 ' A' ' 25' ' ' LEU . 57.4 m-85 -135.17 138.2 43.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -88.69 144.26 26.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mt -115.06 110.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -54.71 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -104.24 78.9 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.01 -106.42 0.22 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mm -128.53 126.06 64.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 45' ' ' ASP . 97.6 m -121.39 104.4 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HA ' HG23 ' A' ' 59' ' ' ILE . 49.4 mtt180 -78.51 128.44 33.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.34 104.95 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -163.01 -148.76 5.48 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -87.19 162.64 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 47' ' ' VAL . . . -77.67 -37.26 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -74.71 -14.43 60.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' CB ' HE21 ' A' ' 44' ' ' GLN . . . -40.31 141.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -37.79 -57.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' ARG . 10.8 tpp180 -97.6 111.34 23.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 tpt180 -34.52 132.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' A' ' 40' ' ' ALA . 9.3 mm-40 -106.75 164.42 12.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.7 t70 -85.14 -64.26 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' TYR . 6.4 mt -96.86 117.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 38' ' ' ALA . 40.6 t -99.94 111.57 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.1 mm? -76.04 156.16 34.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -43.71 162.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.37 -2.73 15.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 53' ' ' ILE . . . -60.44 -175.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -48.48 93.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.682 HD11 ' HD2' ' A' ' 107' ' ' HIS . 30.3 mm -141.21 153.92 20.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.23 150.92 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -56.62 -30.0 62.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.5 mt-10 -129.51 41.58 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . 8.6 t60 -36.69 -70.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 59' ' ' ILE . 7.8 p -146.61 -175.11 4.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 60' ' ' PHE . 12.2 mt -143.9 159.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 59' ' ' ILE . 32.7 m-85 -132.44 112.56 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 -101.35 128.74 47.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.52 97.71 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -126.98 141.58 51.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -80.39 113.7 18.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -51.51 166.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -58.81 -18.49 32.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -80.57 -25.49 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.74 19.35 8.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -110.01 126.53 54.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 43.4 t -67.17 98.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 72' ' ' VAL . 3.3 mm -95.83 152.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG12 HD23 ' A' ' 95' ' ' LEU . 96.9 t -125.8 131.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.534 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.1 m -122.79 138.48 54.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.875 ' HB2' HD21 ' A' ' 95' ' ' LEU . 7.2 tp -96.0 126.33 41.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.3 mp0 -114.39 80.74 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.658 0.742 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HG3' HG22 ' A' ' 89' ' ' VAL . 54.4 Cg_endo -69.69 172.07 13.25 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.658 2.238 . . . . 0.0 112.377 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.9 -179.28 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -86.96 -36.45 18.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -91.89 17.87 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.2 p -119.57 142.9 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -101.85 97.98 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -121.29 142.39 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.597 ' CE1' ' HG3' ' A' ' 88' ' ' ARG . 75.7 m-85 -137.66 111.71 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 101' ' ' ILE . 18.3 t -106.19 134.48 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.0 m120 61.75 21.6 12.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.57 3.93 77.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' VAL . 8.0 ptpp? -125.11 156.91 37.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.597 ' HG3' ' CE1' ' A' ' 83' ' ' TYR . 1.4 ttm180 -73.45 132.95 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.617 HG11 ' CD2' ' A' ' 74' ' ' LEU . 7.1 p -110.17 114.25 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.6 m -122.11 21.91 10.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.538 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.0 pt20 -148.44 154.13 41.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.24 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 91' ' ' GLN . 16.9 m -115.73 159.54 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -87.8 99.75 12.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.8 mm? -38.33 148.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.31 120.86 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -36.33 114.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' HA2' ' CD ' ' A' ' 110' ' ' ARG . . . 95.2 10.81 56.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.785 HD21 HD11 ' A' ' 101' ' ' ILE . 8.9 p-10 -78.52 130.92 36.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -82.25 111.21 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.785 HD11 HD21 ' A' ' 99' ' ' ASN . 7.0 mt -108.02 121.52 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.757 HG12 HG22 ' A' ' 108' ' ' VAL . 39.8 mt -109.05 119.38 58.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.8 mtm -120.03 99.49 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 118.35 -107.72 1.5 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -116.45 -67.07 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 m120 -124.49 8.36 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.682 ' HD2' HD11 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -72.24 91.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.757 HG22 HG12 ' A' ' 102' ' ' ILE . 1.4 t -113.09 146.05 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -139.37 155.53 47.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.636 ' HB2' HD22 ' A' ' 14' ' ' LEU . 2.4 tmm_? -106.04 126.28 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 37.1 t80 -79.39 107.09 11.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -93.44 111.66 23.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.482 ' CE1' ' H ' ' A' ' 116' ' ' GLN . 2.1 t-80 -113.55 77.46 3.26 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -28.24 25.72 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.72 -60.28 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.482 ' H ' ' CE1' ' A' ' 113' ' ' HIS . 9.1 tt0 -69.93 -40.04 75.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 113' ' ' HIS . . . -54.7 -19.61 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 119' ' ' ALA . 3.1 ptm180 -77.03 -36.87 55.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' A' ' 118' ' ' ARG . . . -66.86 -30.01 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -48.52 -29.44 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -70.44 -33.61 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -88.66 -14.64 36.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -40.16 -34.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.3 t -43.63 167.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.0 p -57.54 168.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.85 66.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 82.26 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.3 p -99.91 -25.02 14.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.3 p -108.6 10.48 27.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.426 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -101.09 124.79 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -103.08 110.96 23.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.9 126.57 1.53 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -145.3 155.84 43.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -101.7 167.53 10.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.05 131.05 10.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.681 HG23 ' HD2' ' A' ' 9' ' ' PRO . 85.0 m -141.8 139.23 18.03 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.2 Cg_endo -69.83 130.84 19.95 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -151.36 145.83 25.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 60' ' ' PHE . 51.8 mt -99.33 130.37 45.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -102.7 144.6 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -88.04 71.33 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.8 pt? -69.48 -1.32 8.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -49.81 163.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' ASP . 15.3 pt-20 -91.89 -18.81 23.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' GLU . 2.0 m-20 -32.61 96.07 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.602 0.715 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.1 Cg_endo -69.79 0.42 5.7 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' MET . 5.4 mt -126.39 8.67 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.445 ' CE ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -36.25 122.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.1 m -112.42 6.63 18.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -91.97 -174.98 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 26.7 m -73.78 121.89 21.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD13 ' CE ' ' A' ' 20' ' ' MET . 1.5 mm? -35.39 -48.7 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.22 172.81 12.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.833 ' N ' HD12 ' A' ' 25' ' ' LEU . 44.2 m-85 -134.01 123.7 25.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -86.51 107.94 18.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.1 mt -78.32 119.15 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -75.45 173.65 10.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.31 83.9 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.638 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 179.44 -127.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.465 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.638 HD12 ' C ' ' A' ' 31' ' ' GLY . 2.1 mp -119.04 114.53 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB3' ' A' ' 45' ' ' ASP . 98.2 m -110.59 95.29 5.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' NH1' HG21 ' A' ' 32' ' ' ILE . 26.0 mtm-85 -71.52 133.7 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.844 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -112.08 127.13 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' O ' HD22 ' A' ' 48' ' ' LEU . . . 170.17 -130.17 1.97 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -100.43 167.73 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.334 . . . . 0.0 110.932 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -84.9 -26.15 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -87.41 -8.07 56.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.03 149.15 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -44.04 -56.08 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 44' ' ' GLN . 5.1 mmp_? -94.35 114.03 26.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 42' ' ' ARG . 34.8 ttp180 -37.28 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 42' ' ' ARG . 35.7 mm-40 -65.68 104.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.683 ' HB3' HG23 ' A' ' 33' ' ' THR . 7.7 t0 -34.98 -54.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -102.53 124.4 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 38' ' ' ALA . 20.3 t -107.84 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.844 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -71.81 160.73 32.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.1 m -137.88 107.25 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.52 -94.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -174.46 169.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 7.9 m80 53.81 34.69 19.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.619 HD11 ' CD2' ' A' ' 107' ' ' HIS . 39.4 mm -97.32 150.61 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -116.17 142.96 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 22.4 mp0 -39.62 -35.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.91 54.36 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -41.17 -51.01 3.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 59' ' ' ILE . 1.4 p -158.69 -176.49 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 60' ' ' PHE . 45.1 mt -144.83 154.64 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' CE2' HD11 ' A' ' 11' ' ' LEU . 29.1 m-85 -127.8 108.88 11.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -105.03 119.94 40.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -109.59 99.57 8.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -125.07 134.91 52.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 13.6 ttm180 -80.42 107.4 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 t -46.89 168.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.43 60.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 p -76.71 -16.51 59.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 97.31 21.25 20.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -113.82 134.22 54.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' CE1' ' A' ' 113' ' ' HIS . 72.2 t -72.82 118.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mm -117.36 122.7 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.662 HG12 HD23 ' A' ' 95' ' ' LEU . 78.0 t -100.17 127.72 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.24 136.23 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.841 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.9 tp -97.25 121.65 39.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -109.43 79.7 1.35 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.858 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.81 169.17 19.59 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.7 t -109.68 148.48 31.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.18 -2.12 23.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -119.68 38.83 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 m -147.49 -178.54 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -122.75 94.87 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -124.37 138.53 54.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -132.94 123.77 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.628 HG22 HG23 ' A' ' 101' ' ' ILE . 77.7 t -120.91 135.79 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.94 25.47 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.32 -3.64 85.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -114.08 -179.83 3.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -90.69 129.64 36.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 76' ' ' PRO . 10.6 p -104.81 91.02 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -105.91 16.47 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -147.65 154.77 44.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 101.75 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.5 m -124.86 168.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -88.98 132.36 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 74' ' ' LEU . 3.0 mm? -74.41 157.34 35.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.4 tpp85 -108.92 139.94 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -53.41 93.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.8 17.22 11.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.59 HD21 HD11 ' A' ' 101' ' ' ILE . 0.2 OUTLIER -77.24 136.97 38.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -83.77 114.94 21.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' VAL . 9.5 mt -114.13 113.23 43.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 108' ' ' VAL . 4.1 mp -101.06 152.03 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.485 ' O ' ' CD2' ' A' ' 107' ' ' HIS . 22.8 mtt -144.17 149.96 37.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.499 ' HA3' ' CD2' ' A' ' 107' ' ' HIS . . . 64.18 -87.13 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -132.51 -66.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 108' ' ' VAL . 27.7 m-20 -125.25 9.99 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.619 ' CD2' HD11 ' A' ' 53' ' ' ILE . 1.6 m-70 -68.1 80.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 102' ' ' ILE . 2.2 t -97.57 154.65 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -147.78 144.66 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.717 ' HB2' HD22 ' A' ' 14' ' ' LEU . 15.2 ttm180 -96.43 114.22 25.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.471 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 38.7 t80 -83.93 97.41 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -89.16 114.77 26.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 31.5 t-80 -119.57 79.16 21.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.577 0.703 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.79 3.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 35.5 mm-40 -78.79 -61.66 1.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -46.18 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.96 -17.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -68.27 -32.92 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.58 -21.28 26.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.35 -44.29 84.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -45.61 86.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -71.85 -26.13 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -51.22 110.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.18 157.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.0 p -132.61 121.93 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.66 148.42 18.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.92 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.646 2.23 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.81 -50.33 8.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 t -125.49 136.05 52.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -115.1 139.39 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -64.92 -53.46 46.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.19 -92.94 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t 53.33 43.88 30.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.931 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -118.58 -60.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.7 135.39 32.99 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.691 HG23 ' HD2' ' A' ' 9' ' ' PRO . 83.9 m -135.36 139.2 30.73 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.571 0.7 . . . . 0.0 111.161 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.691 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.6 Cg_endo -69.71 135.72 31.28 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.39 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -158.4 154.45 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.59 130.67 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 t -101.3 129.06 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -81.13 77.63 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.789 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -78.76 6.15 9.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -49.63 178.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -109.72 -19.36 13.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' GLU . 14.8 m-20 -32.74 96.05 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.37 0 CA-C-O 121.612 0.72 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.3 Cg_endo -69.73 -6.22 18.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.08 21.52 16.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -79.34 122.37 26.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -112.86 -7.63 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -80.34 163.76 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 9.0 t -39.07 154.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.21 -29.68 28.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.796 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.02 168.33 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.796 ' N ' HD12 ' A' ' 25' ' ' LEU . 65.8 m-85 -138.27 128.57 26.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CD2' HD11 ' A' ' 25' ' ' LEU . 21.5 m-85 -88.52 129.35 35.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.7 mt -92.39 125.63 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.68 165.18 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -61.94 109.99 1.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.662 ' C ' HD12 ' A' ' 32' ' ' ILE . . . 149.91 -130.09 3.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.662 HD12 ' C ' ' A' ' 31' ' ' GLY . 3.4 mp -128.83 123.74 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 111.086 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 45' ' ' ASP . 24.3 m -110.11 98.7 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -70.12 124.72 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.628 HG12 HD21 ' A' ' 48' ' ' LEU . 5.5 t -106.92 102.12 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.8 -130.2 1.1 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HA ' HG13 ' A' ' 47' ' ' VAL . 48.5 mm-40 -102.73 170.57 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.22 -13.42 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -92.84 -17.41 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.45 149.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.059 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 -45.71 25.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 44' ' ' GLN . 9.8 ttm180 -101.07 116.69 33.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -43.71 95.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 55' ' ' GLU . 9.3 mm100 -68.15 128.87 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' CB ' HG23 ' A' ' 33' ' ' THR . 6.2 m-20 -52.62 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 53.0 mt -97.65 137.27 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.508 ' C ' HD13 ' A' ' 48' ' ' LEU . 3.8 t -123.86 133.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.875 HD23 HG21 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -104.75 168.22 9.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -98.55 -178.96 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.805 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.0 -179.07 53.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -113.2 -1.3 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.855 0.36 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -82.28 1.2 37.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.875 HG21 HD23 ' A' ' 48' ' ' LEU . 4.4 mm -96.12 155.04 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -117.6 152.07 35.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 6.6 mp0 -49.22 -36.1 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.91 42.57 3.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 80' ' ' SER . 9.3 t60 -39.18 -63.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.429 ' C ' HG13 ' A' ' 59' ' ' ILE . 3.3 m -151.31 -177.16 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 60' ' ' PHE . 14.1 mt -143.9 159.46 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.502 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 25.7 m-85 -130.79 110.13 11.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ttt-85 -101.35 124.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -112.61 105.68 13.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -133.99 142.8 47.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -82.55 115.31 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.6 t -53.29 164.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.64 -25.45 39.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.3 t -73.18 -27.14 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.72 20.83 7.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -110.96 131.82 54.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.76 116.63 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mm -117.79 147.76 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.635 HG12 HD23 ' A' ' 95' ' ' LEU . 37.8 t -120.62 135.69 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.2 m -123.53 133.3 54.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.69 ' HB2' HD21 ' A' ' 95' ' ' LEU . 6.4 tp -91.88 118.28 30.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.8 80.64 1.29 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.694 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.8 Cg_endo -69.73 -176.53 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.8 t -109.84 178.77 4.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.07 -12.39 26.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -120.34 32.71 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.568 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 11.2 p -127.99 154.55 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.818 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.08 62.71 2.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.436 ' HB ' HG13 ' A' ' 89' ' ' VAL . 1.5 m -88.79 138.65 31.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -144.47 132.74 21.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 87' ' ' LYS . 30.5 t -120.85 147.86 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.6 m120 43.48 30.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.85 -27.53 8.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' VAL . 49.8 pttt -87.04 170.61 11.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.7 ttp85 -82.22 152.6 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 89' ' ' VAL . 11.7 p -137.61 104.36 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 p -116.74 3.07 12.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.98 164.5 43.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.634 0.73 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 110.69 2.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' C ' HG23 ' A' ' 73' ' ' THR . 18.4 m -136.78 151.88 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.01 135.54 39.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -79.22 178.08 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.46 157.98 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -70.67 73.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.67 29.35 0.98 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 95' ' ' LEU . 2.8 p30 -88.91 144.12 26.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.54 115.66 28.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.42 HG12 HG22 ' A' ' 84' ' ' VAL . 10.0 mt -110.13 119.86 59.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.6 HG12 HG22 ' A' ' 108' ' ' VAL . 23.2 mt -105.37 119.09 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.494 ' SD ' HG11 ' A' ' 35' ' ' VAL . 19.2 mtt -118.36 102.05 8.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 109.9 -120.53 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.79 -67.96 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.322 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -127.46 62.89 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -132.85 88.98 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 HG12 ' A' ' 102' ' ' ILE . 8.7 t -96.17 158.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.424 ' N ' HG12 ' A' ' 108' ' ' VAL . 86.2 m-85 -144.6 143.33 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HB2' HD22 ' A' ' 14' ' ' LEU . 6.9 tpt180 -106.98 116.4 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -79.81 111.43 16.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -103.86 105.12 15.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 116' ' ' GLN . 33.5 t-80 -110.96 77.37 1.39 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -36.39 11.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.8 -44.27 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.504 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 7.1 tp-100 -80.96 -47.02 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.55 -18.45 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -68.98 -39.38 79.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.37 -28.06 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -65.53 -39.49 91.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -88.42 -34.62 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -75.03 4.33 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -76.09 -61.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 4.9 t -62.52 -18.03 61.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 p -84.28 147.28 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -125.31 170.18 17.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.14 25.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 p -109.93 147.46 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.8 m -163.44 170.72 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -121.76 11.23 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -138.39 138.13 37.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.22 177.7 15.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -117.86 98.78 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 p -145.3 144.64 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.57 142.92 16.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.7 m -146.99 139.15 13.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.525 0.679 . . . . 0.0 111.205 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.5 Cg_endo -69.74 130.7 19.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.631 ' CD2' HD13 ' A' ' 25' ' ' LEU . 54.4 p-80 -156.77 154.16 29.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' A' ' 60' ' ' PHE . 48.0 mt -99.21 138.1 36.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.0 135.26 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -78.86 77.44 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.4 pt? -78.03 5.7 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 108' ' ' VAL . 48.3 m-20 -51.97 176.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 19.9 pt-20 -103.58 -26.46 12.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLU . 34.9 t0 -32.65 96.06 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' GLU . 53.0 Cg_endo -69.82 2.65 3.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.701 2.268 . . . . 0.0 112.334 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.26 -13.04 11.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.442 ' CE ' HD13 ' A' ' 24' ' ' LEU . 9.4 ptt? -39.26 121.55 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.3 p -116.33 -3.83 11.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -68.99 -178.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 m -59.48 120.76 9.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' CE ' ' A' ' 20' ' ' MET . 2.3 mm? -46.55 -47.78 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD13 ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -143.32 162.27 36.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.625 ' N ' HD12 ' A' ' 25' ' ' LEU . 70.4 m-85 -126.46 128.73 47.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 10' ' ' HIS . 23.4 m-85 -90.61 119.86 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.718 HG23 ' OG1' ' A' ' 33' ' ' THR . 28.8 mt -92.76 127.18 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' NZ ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -87.59 173.37 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.16 83.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.28 -127.19 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.487 ' C ' ' NZ ' ' A' ' 29' ' ' LYS . 3.2 mm -129.78 116.38 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.763 HG23 ' HB3' ' A' ' 45' ' ' ASP . 86.7 m -105.46 95.5 5.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.168 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.515 ' NH1' ' NE2' ' A' ' 44' ' ' GLN . 10.2 mtm105 -72.26 117.99 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.94 HG12 HD21 ' A' ' 48' ' ' LEU . 2.9 t -98.74 113.83 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.32 -126.49 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.81 -29.51 70.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.49 -22.21 57.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . . . -42.54 142.35 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ALA . 8.2 mm-40 -34.87 -57.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -93.27 142.8 26.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ttp-105 -62.82 106.82 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' NE2' ' NH1' ' A' ' 34' ' ' ARG . 66.3 mm-40 -75.65 135.99 40.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.763 ' HB3' HG23 ' A' ' 33' ' ' THR . 24.9 t0 -62.21 -54.22 44.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG12 ' CD2' ' A' ' 26' ' ' TYR . 33.5 mt -105.39 123.58 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.31 132.1 55.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.94 HD21 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -103.32 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.09 158.58 20.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.808 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.85 169.25 24.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -101.19 -0.88 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 111.08 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' CE1' ' HD3' ' A' ' 105' ' ' LYS . 64.0 m-70 -88.17 -14.7 37.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.454 HD11 ' CG ' ' A' ' 107' ' ' HIS . 28.5 mm -67.94 154.12 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 53' ' ' ILE . 12.7 mmtp -118.65 154.68 32.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -58.02 -38.65 76.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.0 mt-10 -121.22 36.37 4.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 8.5 t60 -36.63 -68.47 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.424 ' C ' HG13 ' A' ' 59' ' ' ILE . 2.8 p -148.58 -175.25 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' N ' ' A' ' 60' ' ' PHE . 15.8 mt -149.86 165.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.545 ' N ' HG22 ' A' ' 59' ' ' ILE . 63.0 m-85 -138.08 106.88 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 32' ' ' ILE . 46.9 ttt180 -102.39 114.39 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -103.57 110.58 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -132.09 140.43 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -82.15 109.59 16.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.0 t -49.71 171.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.0 p30 -63.48 -17.23 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -81.72 -14.91 55.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.8 15.11 37.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -103.4 131.78 50.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.42 108.0 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.03 148.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG12 HD23 ' A' ' 95' ' ' LEU . 74.2 t -120.9 138.19 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' C ' ' A' ' 93' ' ' VAL . 1.0 OUTLIER -120.65 135.66 55.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.056 HD23 HG21 ' A' ' 89' ' ' VAL . 15.9 tp -95.6 122.14 38.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -107.6 80.5 0.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.7 0.762 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.926 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.7 Cg_endo -69.74 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.0 179.94 4.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -102.5 -10.74 19.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -109.78 36.44 2.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 5.3 m -159.15 161.38 36.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -97.2 114.17 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -135.0 145.43 48.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -149.56 141.41 23.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.754 HG22 HG12 ' A' ' 101' ' ' ILE . 65.6 t -140.66 135.9 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 m120 60.98 25.75 15.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.8 4.44 85.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -120.82 162.72 19.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.736 0.303 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -67.86 138.14 55.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.056 HG21 HD23 ' A' ' 74' ' ' LEU . 15.0 p -120.52 96.56 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.7 t -112.15 -22.84 10.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -106.27 154.98 39.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.651 2.234 . . . . 0.0 112.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.488 ' C ' HG23 ' A' ' 73' ' ' THR . 35.6 m -115.49 156.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -85.07 107.16 17.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.9 mm? -46.48 171.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' ASN . 4.1 tpm_? -126.53 128.96 47.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' ARG . 3.6 t -36.23 99.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.19 22.55 11.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.589 ' ND2' HD11 ' A' ' 101' ' ' ILE . 4.4 p-10 -72.64 134.44 45.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -89.14 109.21 20.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.754 HG12 HG22 ' A' ' 84' ' ' VAL . 15.7 mt -104.91 138.94 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mt -126.24 109.59 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 15.9 mtt -100.48 147.16 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.425 ' C ' ' HE2' ' A' ' 105' ' ' LYS . . . 47.8 -125.41 11.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.425 ' HE2' ' C ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -99.91 -75.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 0.0 110.83 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.29 45.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.454 ' CG ' HD11 ' A' ' 53' ' ' ILE . 7.6 m80 -117.05 60.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 101' ' ' ILE . 2.5 t -83.28 154.77 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.587 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 73.0 m-85 -152.26 139.74 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.552 ' HB2' HD22 ' A' ' 14' ' ' LEU . 24.0 ttt180 -107.72 118.93 38.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 72' ' ' VAL . 81.0 t80 -79.93 101.78 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -86.45 131.26 34.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -141.18 80.52 16.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -44.04 2.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -41.62 -54.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 6.9 tp-100 -79.11 -48.09 14.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' O ' ' CG ' ' A' ' 120' ' ' GLU . . . -45.26 -22.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -61.17 -41.79 97.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.95 -7.64 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.3 pt-20 -40.27 -40.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.13 -33.71 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -82.36 16.07 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -83.22 145.78 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.9 p -44.48 167.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.4 p -159.81 111.29 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.02 158.21 11.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.83 36.37 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.304 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.7 m -117.78 54.35 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.4 p -107.64 111.56 23.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -125.08 34.95 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -93.27 18.17 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.6 112.81 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -146.7 117.7 7.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.894 0.378 . . . . 0.0 110.823 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -56.39 123.91 16.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.22 127.99 2.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.686 HG23 ' HD2' ' A' ' 9' ' ' PRO . 84.4 m -140.26 139.17 20.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.554 0.692 . . . . 0.0 111.163 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 8' ' ' THR . 53.9 Cg_endo -69.73 118.17 5.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 112' ' ' ASN . 12.5 p-80 -139.15 153.92 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -98.68 132.28 44.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 t -112.04 138.33 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.2 75.76 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD22 ' HB2' ' A' ' 110' ' ' ARG . 1.6 pt? -77.57 -1.44 30.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.5 p-10 -62.53 -175.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 mp0 -118.09 -15.8 9.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 16' ' ' GLU . 27.7 m-20 -32.67 96.03 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' GLU . 54.0 Cg_endo -69.72 -2.63 10.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' MET . 7.4 mt -105.32 -23.22 12.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HE1' HD13 ' A' ' 24' ' ' LEU . 2.8 ptm -36.06 120.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 p -109.12 6.77 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -93.8 155.69 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 86.1 m -39.83 160.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD13 ' HE1' ' A' ' 20' ' ' MET . 4.2 mm? -76.93 -36.05 56.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD12 ' N ' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -146.33 162.52 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.636 ' N ' HD12 ' A' ' 25' ' ' LEU . 54.0 m-85 -136.18 135.39 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 25' ' ' LEU . 43.3 m-85 -92.75 134.02 35.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.914 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.7 mt -99.46 130.9 47.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' NZ ' ' OD2' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -83.91 172.1 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.88 99.09 8.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.63 -122.71 1.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mm -128.22 122.81 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.789 HG23 ' HB3' ' A' ' 45' ' ' ASP . 16.7 m -111.73 104.46 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -80.55 107.76 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.848 HG12 HD21 ' A' ' 48' ' ' LEU . 2.3 t -89.89 121.24 39.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.08 -130.09 1.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.433 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 53' ' ' ILE . 44.1 mt-30 -110.16 170.69 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 47' ' ' VAL . . . -86.36 -24.36 25.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -59.91 -34.62 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.784 ' HB2' ' CG ' ' A' ' 55' ' ' GLU . . . -34.74 143.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.01 -41.62 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 43' ' ' ARG . 38.8 mmm-85 -113.26 115.39 28.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.0 tpt180 -34.94 127.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -90.75 136.78 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.789 ' HB3' HG23 ' A' ' 33' ' ' THR . 2.6 t70 -42.96 -71.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.7 mt -100.98 118.72 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 38' ' ' ALA . 6.6 t -105.8 115.09 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.848 HD21 HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -84.99 165.36 17.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.3 m -119.53 98.07 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.12 -171.54 27.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -119.18 6.46 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.331 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.489 ' CD2' ' HD3' ' A' ' 105' ' ' LYS . 0.6 OUTLIER -122.67 0.68 9.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 37' ' ' GLN . 16.0 mm -72.11 151.29 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' CA ' HE21 ' A' ' 37' ' ' GLN . 18.7 mmmt -119.61 143.88 47.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.784 ' CG ' ' HB2' ' A' ' 40' ' ' ALA . 7.9 tt0 -39.45 -42.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.9 mm-40 -119.82 44.19 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' H ' ' A' ' 81' ' ' GLU . 11.3 t60 -36.81 -70.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' C ' HG13 ' A' ' 59' ' ' ILE . 13.7 p -142.64 -179.92 6.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 60' ' ' PHE . 11.0 mt -144.47 160.54 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' CD1' ' A' ' 74' ' ' LEU . 79.9 m-85 -136.18 117.96 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -99.9 105.34 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 t -104.61 90.99 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -126.25 146.75 49.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HG2' ' C ' ' A' ' 68' ' ' GLY . 15.0 ttm180 -80.27 104.24 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.6 t -41.71 162.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -53.35 -32.11 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -69.33 -24.19 63.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 64' ' ' ARG . . . 107.51 16.01 14.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -108.0 126.95 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.76 132.61 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.455 ' CG2' ' CD ' ' A' ' 94' ' ' GLN . 6.6 mm -131.27 133.86 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 95' ' ' LEU . 41.6 t -117.27 111.79 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.507 HG23 ' HA ' ' A' ' 94' ' ' GLN . 0.2 OUTLIER -110.48 125.94 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.915 ' HB2' HD21 ' A' ' 95' ' ' LEU . 3.0 tp -82.98 115.91 22.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.7 80.85 1.03 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.821 ' HG3' HG22 ' A' ' 89' ' ' VAL . 53.6 Cg_endo -69.84 -175.99 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 1.7 t -123.33 178.94 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' CG ' ' HG2' ' A' ' 79' ' ' ARG . 14.3 pt-20 -87.18 -40.63 14.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HG2' ' CG ' ' A' ' 78' ' ' GLU . 19.3 mmt85 -89.96 21.91 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -109.44 176.86 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' H ' ' CE1' ' A' ' 57' ' ' HIS . 6.2 tt0 -123.38 54.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.447 ' C ' ' CD1' ' A' ' 83' ' ' TYR . 1.3 m -91.96 148.35 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 88' ' ' ARG . 60.8 m-85 -150.65 136.56 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 HG11 ' A' ' 89' ' ' VAL . 82.6 t -131.39 147.85 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.143 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.5 m120 56.13 30.16 15.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.49 2.66 69.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -117.73 174.59 6.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 83' ' ' TYR . 10.1 tpt180 -80.07 143.79 33.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.821 HG22 ' HG3' ' A' ' 76' ' ' PRO . 14.5 p -132.18 104.15 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.1 t -107.1 -16.91 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -112.31 163.65 17.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.75 111.93 2.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 19.3 m -124.35 144.67 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.507 ' HA ' HG23 ' A' ' 73' ' ' THR . 0.0 OUTLIER -80.01 109.39 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.915 HD21 ' HB2' ' A' ' 74' ' ' LEU . 2.5 mm? -48.34 151.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -115.15 132.59 56.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.0 t -43.67 107.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.43 38.08 5.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.58 ' OD1' HD12 ' A' ' 95' ' ' LEU . 2.8 p30 -109.79 141.85 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.664 ' NE ' HD11 ' A' ' 14' ' ' LEU . 6.8 mmt180 -89.63 133.42 34.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 mt -128.1 123.72 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.719 HG12 HG22 ' A' ' 108' ' ' VAL . 53.7 mt -107.63 126.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.6 mtt -125.39 100.18 6.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 110.05 -101.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.489 ' HD3' ' CD2' ' A' ' 52' ' ' HIS . 13.4 mmmt -120.8 -73.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.658 ' O ' HG23 ' A' ' 108' ' ' VAL . 22.1 m120 -116.55 -0.47 12.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.42 ' CE1' ' H ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -66.81 78.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.719 HG22 HG12 ' A' ' 102' ' ' ILE . 1.6 t -101.25 162.02 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 108' ' ' VAL . 5.7 m-85 -158.83 161.6 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.808 ' HB2' HD22 ' A' ' 14' ' ' LEU . 52.4 ttm-85 -112.72 142.06 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.465 ' CZ ' ' HB ' ' A' ' 72' ' ' VAL . 41.3 t80 -89.9 127.19 35.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.409 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 5.7 t-20 -109.72 128.06 55.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.438 ' CE1' ' HB2' ' A' ' 115' ' ' GLU . 7.3 t-80 -138.23 72.32 45.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.562 0.696 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -4.15 13.42 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.264 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.438 ' HB2' ' CE1' ' A' ' 113' ' ' HIS . 13.4 mt-10 -81.07 -49.11 11.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . 5.3 tp-100 -83.41 -43.12 16.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.37 -18.11 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 119' ' ' ALA . 2.8 ptm180 -78.49 -36.46 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' A' ' 118' ' ' ARG . . . -75.92 -7.84 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 119' ' ' ALA . 10.2 pt-20 -36.78 -39.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.72 -41.29 6.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -50.95 -23.45 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -55.19 158.67 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 52.0 m -43.31 103.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.171 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -73.98 104.08 4.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.77 -172.87 30.77 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.01 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.7 t -133.15 107.07 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.5 p -102.9 -176.61 3.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.989 . . . . . . . . 0 0 . 1 stop_ save_